consistently compare atom->molecular against enumerator constants

2021-03-14 01:25:22 -05:00
parent a1b26fdfc4
commit 8c4918457f
79 changed files with 89 additions and 89 deletions
--- a/src/create_box.cpp
+++ b/src/create_box.cpp
@ -83,7 +83,7 @@ void CreateBox::command(int narg, char **arg)

  // if molecular, zero out topology info

-  if (atom->molecular) {
+  if (atom->molecular != Atom::ATOMIC) {
    atom->bond_per_atom = 0;
    atom->angle_per_atom = 0;
    atom->dihedral_per_atom = 0;