From 9329ab6ab8c5283736e8abd72b9abd458e5746a8 Mon Sep 17 00:00:00 2001 From: Aidan Thompson Date: Tue, 9 Mar 2021 19:14:17 -0700 Subject: [PATCH] Added another check specially for chemsnap --- src/SNAP/pair_snap.cpp | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp index ecb93be032..0e87792754 100644 --- a/src/SNAP/pair_snap.cpp +++ b/src/SNAP/pair_snap.cpp @@ -782,6 +782,9 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename) if (rcutfacflag == 0 || twojmaxflag == 0) error->all(FLERR,"Incorrect SNAP parameter file"); + if (chemflag && nelemtmp != nelements) + error->all(FLERR,"Incorrect SNAP parameter file"); + } /* ----------------------------------------------------------------------