git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3396 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/Makefile.package

@@ -1,9 +1,9 @@
 # Settings for libraries used by specific LAMMPS packages
 # this file is auto-edited when those packages are included/excluded
 
-PKG_INC =  -I../../lib/reax -I../../lib/poems -I../../lib/meam 
-PKG_PATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam 
-PKG_LIB =  -lreax -lpoems -lmeam 
+PKG_INC =  -I../../lib/atc -I../../lib/reax -I../../lib/poems -I../../lib/meam 
+PKG_PATH = -L../../lib/atc -L../../lib/reax -L../../lib/poems -L../../lib/meam 
+PKG_LIB =  -latc -lreax -lpoems -lmeam 
 
-PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH) 
-PKG_SYSLIB =  $(reax_SYSLIB) $(meam_SYSLIB) 
+PKG_SYSPATH = $(user-atc_SYSPATH) $(reax_SYSPATH) $(meam_SYSPATH) 
+PKG_SYSLIB =  $(user-atc_SYSLIB) $(reax_SYSLIB) $(meam_SYSLIB) 

src/atom_vec_hybrid.cpp

@@ -57,6 +57,9 @@ AtomVecHybrid::AtomVecHybrid(LAMMPS *lmp, int narg, char **arg) :
   // hybrid settings are MAX or MIN of sub-style settings
   // hybrid sizes are minimial values plus extra values for each sub-style
 
+  molecular = 0;
+  comm_x_only = comm_f_only = 1;
+
   size_forward = 3;
   size_reverse = 3;
   size_border = 6;

src/style_user_ackland.h

@@ -0,0 +1,20 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under 
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef ComputeInclude
+#include "compute_ackland_atom.h"
+#endif
+
+#ifdef ComputeClass
+ComputeStyle(ackland/atom,ComputeAcklandAtom)
+#endif

src/style_user_ewaldn.h

@@ -0,0 +1,30 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under 
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef KSpaceInclude
+#include "ewald_n.h"
+#endif
+
+#ifdef KSpaceClass
+KSpaceStyle(ewald/n,EwaldN)
+#endif
+
+#ifdef PairInclude
+#include "pair_buck_coul.h"
+#include "pair_lj_coul.h"
+#endif
+
+#ifdef PairClass
+PairStyle(buck/coul,PairBuckCoul)
+PairStyle(lj/coul,PairLJCoul)
+#endif