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bond/react: check template for topology overflow

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jrgissing
2019-01-06 17:07:35 -07:00
parent ca6c1c4b41
commit 9ae84bc367
1 changed files with 2 additions and 0 deletions
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2
src/USER-MISC/fix_bond_react.cpp
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@ -290,6 +290,8 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
open(files[i]);
onemol = atom->molecules[unreacted_mol[i]];
twomol = atom->molecules[reacted_mol[i]];
onemol->check_attributes(0);
twomol->check_attributes(0);
if (onemol->natoms != twomol->natoms)
error->all(FLERR,"Post-reacted template must contain the same "
"number of atoms as the pre-reacted template");