From da1a3ac83af4ecc80bc4801c2e422c69036dabd4 Mon Sep 17 00:00:00 2001 From: athomps Date: Wed, 11 Nov 2015 23:39:25 +0000 Subject: [PATCH] Fixed error in onemols initialization when gcmc uses non-first molecule template git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14250 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MC/fix_gcmc.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index a9c7ad439c..b0c1982405 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -253,8 +253,8 @@ void FixGCMC::options(int narg, char **arg) error->warning(FLERR,"Molecule template for " "fix gcmc has multiple molecules"); mode = MOLECULE; - onemols = &atom->molecules[imol]; - nmol = onemols[0]->nset; + onemols = atom->molecules; + nmol = onemols[imol]->nset; iarg += 2; } else if (strcmp(arg[iarg],"region") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix gcmc command");