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consistently compare atom->molecular against enumerator constants

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This commit is contained in:
Axel Kohlmeyer
2021-03-14 01:25:22 -05:00
parent a1b26fdfc4
commit 8c4918457f
79 changed files with 89 additions and 89 deletions
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6
src/verlet.cpp
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@ -135,7 +135,7 @@ void Verlet::setup(int flag)
if (pair_compute_flag) force->pair->compute(eflag,vflag);
else if (force->pair) force->pair->compute_dummy(eflag,vflag);
if (atom->molecular) {
if (atom->molecular != Atom::ATOMIC) {
if (force->bond) force->bond->compute(eflag,vflag);
if (force->angle) force->angle->compute(eflag,vflag);
if (force->dihedral) force->dihedral->compute(eflag,vflag);
@ -197,7 +197,7 @@ void Verlet::setup_minimal(int flag)
if (pair_compute_flag) force->pair->compute(eflag,vflag);
else if (force->pair) force->pair->compute_dummy(eflag,vflag);
if (atom->molecular) {
if (atom->molecular != Atom::ATOMIC) {
if (force->bond) force->bond->compute(eflag,vflag);
if (force->angle) force->angle->compute(eflag,vflag);
if (force->dihedral) force->dihedral->compute(eflag,vflag);
@ -312,7 +312,7 @@ void Verlet::run(int n)
timer->stamp(Timer::PAIR);
}
if (atom->molecular) {
if (atom->molecular != Atom::ATOMIC) {
if (force->bond) force->bond->compute(eflag,vflag);
if (force->angle) force->angle->compute(eflag,vflag);
if (force->dihedral) force->dihedral->compute(eflag,vflag);