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Fix the typestr replacement with arg issue

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This commit is contained in:
Yaser Afshar
2023-03-27 19:23:29 -07:00
parent 7460cc682d
commit cbcba31d47
2 changed files with 16 additions and 24 deletions
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11
src/atom.cpp
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@ -1944,23 +1944,22 @@ void Atom::set_mass(const char *file, int line, int /*narg*/, char **arg)
error->all(file,line, "Cannot set per-type atom mass for atom style {}", atom_style);
char *typestr = utils::expand_type(file, line, arg[0], Atom::ATOM, lmp);
if (typestr) arg[0] = typestr;
const std::string str = typestr ? typestr : arg[0];
delete[] typestr;
int lo, hi;
utils::bounds(file, line, arg[0], 1, ntypes, lo, hi, error);
utils::bounds(file, line, str, 1, ntypes, lo, hi, error);
if ((lo < 1) || (hi > ntypes))
error->all(file, line, "Invalid atom type {} for atom mass", arg[0]);
error->all(file, line, "Invalid atom type {} for atom mass", str);
const double value = utils::numeric(FLERR, arg[1], false, lmp);
if (value <= 0.0)
error->all(file, line, "Invalid atom mass value {} for type {}", value, arg[0]);
error->all(file, line, "Invalid atom mass value {} for type {}", value, str);
for (int itype = lo; itype <= hi; itype++) {
mass[itype] = value;
mass_setflag[itype] = 1;
}
delete[] typestr;
}
/* ----------------------------------------------------------------------