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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/domain.cpp
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@ -768,7 +768,7 @@ void Domain::image_check()
int flag = 0;
for (i = 0; i < nlocal; i++) {
if (molecular == 1) n = num_bond[i];
if (molecular == Atom::MOLECULAR) n = num_bond[i];
else {
if (molindex[i] < 0) continue;
imol = molindex[i];
@ -777,7 +777,7 @@ void Domain::image_check()
}
for (j = 0; j < n; j++) {
if (molecular == 1) {
if (molecular == Atom::MOLECULAR) {
if (bond_type[i][j] <= 0) continue;
k = atom->map(bond_atom[i][j]);
} else {
@ -867,7 +867,7 @@ void Domain::box_too_small_check()
int nmissing = 0;
for (i = 0; i < nlocal; i++) {
if (molecular == 1) n = num_bond[i];
if (molecular == Atom::MOLECULAR) n = num_bond[i];
else {
if (molindex[i] < 0) continue;
imol = molindex[i];
@ -876,7 +876,7 @@ void Domain::box_too_small_check()
}
for (j = 0; j < n; j++) {
if (molecular == 1) {
if (molecular == Atom::MOLECULAR) {
if (bond_type[i][j] <= 0) continue;
k = atom->map(bond_atom[i][j]);
} else {