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Repairing srp wildcard logic

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This commit is contained in:
jtclemm
2025-01-29 13:09:49 -07:00
parent 7c0254caee
commit ff340cf409
1 changed files with 4 additions and 3 deletions
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7
src/MISC/pair_srp.cpp
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@ -397,10 +397,11 @@ void PairSRP::coeff(int narg, char **arg)
error->all(FLERR,"PairSRP: Incorrect args for pair coeff");
if (!allocated) allocate();
if (btype_str.size() > 0)
if (btype_str.size() > 0) {
btype = utils::expand_type_int(FLERR, btype_str, Atom::BOND, lmp);
if ((btype > atom->nbondtypes) || (btype <= 0))
error->all(FLERR,"Invalid bond type {} for pair style srp", btype);
if ((btype > atom->nbondtypes) || (btype <= 0))
error->all(FLERR,"Invalid bond type {} for pair style srp", btype);
}
if (bptype_str.size() > 0)
bptype = utils::expand_type_int(FLERR, bptype_str, Atom::ATOM, lmp);