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Remove optional toggle from pair style commands

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This commit is contained in:
Steven Ray Anaya
2022-09-16 14:10:58 -06:00
parent 1655aba5f3
commit 43998570d1
3 changed files with 11 additions and 7 deletions
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14
src/ML-IAP/pair_mliap.cpp
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@ -185,15 +185,19 @@ void PairMLIAP::settings(int narg, char ** arg)
} else if (strcmp(arg[iarg], "unified") == 0) {
if (modelflag) error->all(FLERR,"Illegal multiple pair_style mliap model definition");
if (descriptorflag) error->all(FLERR,"Illegal multiple pair_style mliap descriptor definition");
if (iarg+3 > narg) error->all(FLERR,"Illegal pair_style mliap command");
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_style mliap command");
MLIAPBuildUnified_t build = build_unified(arg[iarg+1], data, lmp);
if (strcmp(arg[iarg+2],"0") == 0) {
if (iarg+3 > narg) {
ghostneigh = 0;
} else if (strcmp(arg[iarg+2],"1") == 0) {
ghostneigh = 1;
} else {
error->all(FLERR,"Illegal pair_style mliap command");
if (strcmp(arg[iarg+2],"0") == 0)
ghostneigh = 0;
else if (strcmp(arg[iarg+2],"1") == 0)
ghostneigh = 1;
else
error->all(FLERR,"Illegal pair_style mliap command");
}
iarg += 3;
model = build.model;
descriptor = build.descriptor;