From ded60d2d195980a7573afa77b5a88f793e8febf2 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Mon, 2 Jul 2007 20:07:27 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@714
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/compute_etotal_atom.cpp | 3 +++
 src/style.h                 | 2 ++
 2 files changed, 5 insertions(+)

diff --git a/src/compute_etotal_atom.cpp b/src/compute_etotal_atom.cpp
index ddf92f9c28..e287cdd6f9 100644
--- a/src/compute_etotal_atom.cpp
+++ b/src/compute_etotal_atom.cpp
@@ -66,6 +66,9 @@ void ComputeEtotalAtom::init()
   if (icompute < 0)
     error->all("Could not find compute etotal/atom pre-compute ID");
   compute_epair = modify->compute[icompute];
+
+  if (groupbit != compute_epair->groupbit && comm->me == 0)
+    error->warning("Group for compute etotal and its epair are not the same");
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/style.h b/src/style.h
index 785d68e560..0f26631cf8 100644
--- a/src/style.h
+++ b/src/style.h
@@ -78,6 +78,7 @@ CommandStyle(write_restart,WriteRestart)
 #ifdef ComputeInclude
 #include "compute_centro_atom.h"
 #include "compute_coord_atom.h"
+#include "compute_ebond_atom.h"
 #include "compute_epair_atom.h"
 #include "compute_etotal_atom.h"
 #include "compute_ke_atom.h"
@@ -97,6 +98,7 @@ CommandStyle(write_restart,WriteRestart)
 #ifdef ComputeClass
 ComputeStyle(centro/atom,ComputeCentroAtom)
 ComputeStyle(coord/atom,ComputeCoordAtom)
+ComputeStyle(ebond/atom,ComputeEbondAtom)
 ComputeStyle(epair/atom,ComputeEpairAtom)
 ComputeStyle(etotal/atom,ComputeEtotalAtom)
 ComputeStyle(ke/atom,ComputeKEAtom)