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bond/react:modify-create-correction

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This commit is contained in:
Jacob Gissinger
2020-09-21 12:01:40 -04:00
parent 0236cabce9
commit ede28cc1bf
1 changed files with 1 additions and 1 deletions
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src/USER-REACTION/fix_bond_react.cpp
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@ -387,7 +387,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
"'modify_create' has too few arguments");
if (strcmp(arg[iarg+1],"no") == 0) modify_create_fragid[rxn] = -1; //default
else {
modify_create_fragid[rxn] = atom->molecules[unreacted_mol[rxn]]->findfragment(arg[iarg+1]);
modify_create_fragid[rxn] = atom->molecules[reacted_mol[rxn]]->findfragment(arg[iarg+1]);
if (modify_create_fragid[rxn] < 0) error->one(FLERR,"Bond/react: Molecule fragment for "
"'modify_create' keyword does not exist");
}