From 1541a02bc6b75512dd5a747bbe49f31cfd49bdd9 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 7 Aug 2014 14:23:22 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12276
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/create_atoms.cpp | 18 ++++++++----------
1 file changed, 8 insertions(+), 10 deletions(-)
diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp
index 9777f23334..ac3f95001d 100644
--- a/src/create_atoms.cpp
+++ b/src/create_atoms.cpp
@@ -390,17 +390,15 @@ void CreateAtoms::command(int narg, char **arg)
int molcreate = (atom->nlocal - nlocal_previous) / onemol->natoms;
- // for atom style template systems, increment total bonds,angles,etc
+ // increment total bonds,angles,etc
- if (atom->molecular == 2) {
- bigint nmolme = molcreate;
- bigint nmoltotal;
- MPI_Allreduce(&nmolme,&nmoltotal,1,MPI_LMP_BIGINT,MPI_SUM,world);
- atom->nbonds += nmoltotal * onemol->nbonds;
- atom->nangles += nmoltotal * onemol->nangles;
- atom->ndihedrals += nmoltotal * onemol->ndihedrals;
- atom->nimpropers += nmoltotal * onemol->nimpropers;
- }
+ bigint nmolme = molcreate;
+ bigint nmoltotal;
+ MPI_Allreduce(&nmolme,&nmoltotal,1,MPI_LMP_BIGINT,MPI_SUM,world);
+ atom->nbonds += nmoltotal * onemol->nbonds;
+ atom->nangles += nmoltotal * onemol->nangles;
+ atom->ndihedrals += nmoltotal * onemol->ndihedrals;
+ atom->nimpropers += nmoltotal * onemol->nimpropers;
// if atom style template
// maxmol = max molecule ID across all procs, for previous atoms