Merge branch 'develop' into roll-back-neighbor-swap

2025-06-15 17:45:13 -04:00
parent 4d6a085361 08d2856558
commit 0a1ade0bce
1 changed files with 2 additions and 0 deletions
--- a/src/REACTION/fix_bond_react.cpp
+++ b/src/REACTION/fix_bond_react.cpp
@ -4238,6 +4238,8 @@ void FixBondReact::CreateAtoms(char *line, int myrxn)
  }
  if (twomol->xflag == 0)
    error->one(FLERR,"Fix bond/react: 'Coords' section required in post-reaction template when creating new atoms");
+  if (atom->rmass_flag && !twomol->rmassflag)
+    error->one(FLERR, "Fix bond/react: 'Masses' section required in post-reaction template when creating new atoms if per-atom masses are defined.");
 }

 void FixBondReact::CustomCharges(int ifragment, int myrxn)