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replace some numeric constants in Atom and AtomVec classes with enumerators

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This commit is contained in:
Axel Kohlmeyer
2020-09-11 18:44:13 -04:00
parent cdd9d693ad
commit 9d0c3bc665
202 changed files with 539 additions and 530 deletions
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8
src/replicate.cpp
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@ -591,7 +591,7 @@ void Replicate::command(int narg, char **arg)
if (atom->molecular) {
if (atom->molecule[i] > 0)
atom->molecule[i] += mol_offset;
if (atom->molecular == 1) {
if (atom->molecular == Atom::MOLECULAR) {
if (atom->avec->bonds_allow)
for (j = 0; j < atom->num_bond[i]; j++)
atom->bond_atom[i][j] += atom_offset;
@ -693,7 +693,7 @@ void Replicate::command(int narg, char **arg)
if (atom->molecular) {
if (atom->molecule[i] > 0)
atom->molecule[i] += mol_offset;
if (atom->molecular == 1) {
if (atom->molecular == Atom::MOLECULAR) {
if (atom->avec->bonds_allow)
for (j = 0; j < atom->num_bond[i]; j++)
atom->bond_atom[i][j] += atom_offset;
@ -766,14 +766,14 @@ void Replicate::command(int narg, char **arg)
// create global mapping of atoms
if (atom->map_style) {
if (atom->map_style != Atom::MAP_NONE) {
atom->map_init();
atom->map_set();
}
// create special bond lists for molecular systems
if (atom->molecular == 1) {
if (atom->molecular == Atom::MOLECULAR) {
Special special(lmp);
special.build();
}