modernize error messages for processing molecule files

2025-01-31 20:33:47 -05:00
parent 1dc5f8739a
commit be1be668a2
3 changed files with 161 additions and 139 deletions
--- a/src/atom.cpp
+++ b/src/atom.cpp
@ -2128,7 +2128,7 @@ void Atom::add_molecule(int narg, char **arg)
  if (narg < 1) utils::missing_cmd_args(FLERR, "molecule", error);

  if (find_molecule(arg[0]) >= 0)
-    error->all(FLERR,"Reuse of molecule template ID {}", arg[0]);
+    error->all(FLERR,(int) 0, "Reuse of molecule template ID {}", arg[0]);

  // 1st molecule in set stores nset = # of mols, others store nset = 0
  // ifile = count of molecules in set