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remove molecule template index bug in fix gcmc

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This commit is contained in:
Axel Kohlmeyer
2015-11-10 19:03:46 -05:00
parent dfb07704c2
commit b3aec4ebd8
1 changed files with 2 additions and 2 deletions
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src/MC/fix_gcmc.cpp
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@ -253,8 +253,8 @@ void FixGCMC::options(int narg, char **arg)
error->warning(FLERR,"Molecule template for " error->warning(FLERR,"Molecule template for "
"fix gcmc has multiple molecules"); "fix gcmc has multiple molecules");
mode = MOLECULE; mode = MOLECULE;
onemols = &atom->molecules[imol]; onemols = atom->molecules;
nmol = onemols[0]->nset; nmol = onemols[imol]->nset;
iarg += 2; iarg += 2;
} else if (strcmp(arg[iarg],"region") == 0) { } else if (strcmp(arg[iarg],"region") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix gcmc command"); if (iarg+2 > narg) error->all(FLERR,"Illegal fix gcmc command");