From c62169953b639cf58d3e90316302eea8deaa50ec Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 19 Oct 2012 16:02:26 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8982
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/KSPACE/pppm.cpp          | 7 ++++---
 src/SHOCK/fix_append_atoms.h | 2 +-
 src/kspace.cpp               | 2 +-
 3 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp
index a50ec78849..d4110db985 100644
--- a/src/KSPACE/pppm.cpp
+++ b/src/KSPACE/pppm.cpp
@@ -301,11 +301,12 @@ void PPPM::init()
     order--;
     iteration++;
   }
+  
+  if (order < minorder) error->all(FLERR,"PPPM order < minimum allowed order");
 
   if (!overlap_allowed && cgtmp->ghost_overlap())
     error->all(FLERR,"PPPM grid stencil extends "
                "beyond nearest neighbor processor");
-  if (order < minorder) error->all(FLERR,"PPPM order < minimum allowed order");
   if (cgtmp) delete cgtmp;
 
   // adjust g_ewald
@@ -566,9 +567,9 @@ void PPPM::compute(int eflag, int vflag)
   // extra per-atom energy/virial communication
 
   if (evflag_atom) {
-    if (differentiation_flag == 1) 
+    if (differentiation_flag == 1 && vflag_atom) 
       cg_peratom->forward_comm(this,FORWARD_AD_PERATOM);
-    else 
+    else if (differentiation_flag == 0)
       cg_peratom->forward_comm(this,FORWARD_IK_PERATOM);
   }
 
diff --git a/src/SHOCK/fix_append_atoms.h b/src/SHOCK/fix_append_atoms.h
index d22abbfcb3..dca43d5ec2 100644
--- a/src/SHOCK/fix_append_atoms.h
+++ b/src/SHOCK/fix_append_atoms.h
@@ -13,7 +13,7 @@
 
 #ifdef FIX_CLASS
 
-FixStyle(append_atoms,FixAppendAtoms)
+FixStyle(append/atoms,FixAppendAtoms)
 
 #else
 
diff --git a/src/kspace.cpp b/src/kspace.cpp
index 4bbd007dd2..0642e519b1 100644
--- a/src/kspace.cpp
+++ b/src/kspace.cpp
@@ -369,7 +369,7 @@ void KSpace::modify_params(int narg, char **arg)
       else if (strcmp(arg[iarg+1],"ik") == 0) differentiation_flag = 0;
       else error->all(FLERR, "Illegal kspace_modify command");
       iarg += 2;
-    } else if (strcmp(arg[iarg],"adjust/cutoff") == 0) {
+    } else if (strcmp(arg[iarg],"cutoff/adjust") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
       if (strcmp(arg[iarg+1],"yes") == 0) adjust_cutoff_flag = 1;
       else if (strcmp(arg[iarg+1],"no") == 0) adjust_cutoff_flag = 0;