replace some numeric constants in Atom and AtomVec classes with enumerators

2020-09-11 18:44:13 -04:00
parent cdd9d693ad
commit 9d0c3bc665
202 changed files with 539 additions and 530 deletions
--- a/src/input.cpp
+++ b/src/input.cpp
@ -1791,7 +1791,7 @@ void Input::special_bonds()

  // if simulation box defined and saved values changed, redo special list

-  if (domain->box_exist && atom->molecular == 1) {
+  if (domain->box_exist && atom->molecular == Atom::MOLECULAR) {
    if (lj2 != force->special_lj[2] || lj3 != force->special_lj[3] ||
        coul2 != force->special_coul[2] || coul3 != force->special_coul[3] ||
        angle != force->special_angle ||