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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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src/thermo.cpp
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@ -1856,7 +1856,7 @@ void Thermo::compute_eimp()
void Thermo::compute_emol()
{
double tmp = 0.0;
if (atom->molecular) {
if (atom->molecular != Atom::ATOMIC) {
if (force->bond) tmp += force->bond->energy;
if (force->angle) tmp += force->angle->energy;
if (force->dihedral) tmp += force->dihedral->energy;