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relax checks to avoid segfaults and accept non-template atoms

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Axel Kohlmeyer
2020-10-26 23:01:58 -04:00
parent efd31fbb60
commit 8975c7e316
1 changed files with 2 additions and 2 deletions
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src/MOLECULE/atom_vec_template.cpp
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@ -137,8 +137,8 @@ void AtomVecTemplate::data_atom_post(int ilocal)
int molindex_one = --molindex[ilocal];
int molatom_one = --molatom[ilocal];
if (molindex_one < 0 || molindex_one >= nset)
if ((molindex_one < -1) || (molindex_one >= nset))
error->one(FLERR,"Invalid template index in Atoms section of data file");
if (molatom_one < 0 || molatom_one >= onemols[molindex_one]->natoms)
if ((molatom_one < -1) || ((molindex_one >= 0) && (molatom_one >= onemols[molindex_one]->natoms)))
error->one(FLERR,"Invalid template atom in Atoms section of data file");
}