fixed division by zero issue in geometry

2022-01-13 17:15:45 +00:00
parent b1ed5e5b27
commit 0540b93123
1 changed files with 1 additions and 0 deletions
--- 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);