From 0540b93123943bd0dad086a91ef69e3a8eb0607c Mon Sep 17 00:00:00 2001 From: phankl Date: Thu, 13 Jan 2022 17:15:45 +0000 Subject: [PATCH] fixed division by zero issue in geometry --- src/MESONT/pair_mesocnt.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/MESONT/pair_mesocnt.cpp b/src/MESONT/pair_mesocnt.cpp index 91af0745ff..4214d2895f 100644 --- a/src/MESONT/pair_mesocnt.cpp +++ b/src/MESONT/pair_mesocnt.cpp @@ -1553,6 +1553,7 @@ void PairMesoCNT::geometry(const double *r1, const double *r2, sub3(pbar,rbar,delrbar); double h = len3(delrbar); + if (h*ang_inv < SMALL) h = SMALL * ang; copy3(delrbar,ex); copy3(l,ez);