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Make it easier to enable tabulation in ReaxFF

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This commit is contained in:
Stan Gerald Moore
2022-03-04 12:34:51 -07:00
parent 798975b809
commit cdeaa83f6d
1 changed files with 4 additions and 0 deletions
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4
src/REAXFF/pair_reaxff.cpp
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@ -263,6 +263,10 @@ void PairReaxFF::settings(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_style reaxff command");
list_blocking_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"tabulate") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_style reaxff command");
api->control->tabulate = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else error->all(FLERR,"Illegal pair_style reaxff command");
}
}