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/atom_vec_ellipsoid.cpp
+++ b/src/atom_vec_ellipsoid.cpp
@ -34,7 +34,7 @@ using namespace MathConst;

 AtomVecEllipsoid::AtomVecEllipsoid(LAMMPS *lmp) : AtomVec(lmp)
 {
-  molecular = 0;
+  molecular = Atom::ATOMIC;
  bonus_flag = 1;

  size_forward_bonus = 4;