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Added another check specially for chemsnap

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This commit is contained in:
Aidan Thompson
2021-03-09 19:14:17 -07:00
parent 115723a4d4
commit 9329ab6ab8
1 changed files with 3 additions and 0 deletions
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3
src/SNAP/pair_snap.cpp
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@ -782,6 +782,9 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename)
if (rcutfacflag == 0 || twojmaxflag == 0) if (rcutfacflag == 0 || twojmaxflag == 0)
error->all(FLERR,"Incorrect SNAP parameter file"); error->all(FLERR,"Incorrect SNAP parameter file");
if (chemflag && nelemtmp != nelements)
error->all(FLERR,"Incorrect SNAP parameter file");
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------