ICODE-ADC/lammps
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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/replicate.cpp
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@ -602,7 +602,7 @@ void Replicate::command(int narg, char **arg)
atom->tag[i] += atom_offset;
atom->image[i] = image;
if (atom->molecular) {
if (atom->molecular != Atom::ATOMIC) {
if (atom->molecule[i] > 0)
atom->molecule[i] += mol_offset;
if (atom->molecular == Atom::MOLECULAR) {
@ -704,7 +704,7 @@ void Replicate::command(int narg, char **arg)
atom->tag[i] += atom_offset;
atom->image[i] = image;
if (atom->molecular) {
if (atom->molecular != Atom::ATOMIC) {
if (atom->molecule[i] > 0)
atom->molecule[i] += mol_offset;
if (atom->molecular == Atom::MOLECULAR) {