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correctly exclude atoms from simultaneous competing reactions

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This commit is contained in:
jrgissing
2018-08-25 15:46:48 -06:00
parent c471902db1
commit b05aa62c49
1 changed files with 7 additions and 7 deletions
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14
src/USER-MISC/fix_bond_react.cpp
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@ -1862,13 +1862,13 @@ void FixBondReact::glove_ghostcheck()
// noteworthy: it's only relevant for parallel
// here we add glove to either local_mega_glove or ghostly_mega_glove
int ghostly = 0;
for (int i = 0; i < onemol->natoms; i++) {
if (atom->map(glove[i][1]) >= atom->nlocal) {
ghostly = 1;
break;
}
}
int ghostly = 1;
//for (int i = 0; i < onemol->natoms; i++) {
// if (atom->map(glove[i][1]) >= atom->nlocal) {
// ghostly = 1;
// break;
// }
//}
if (ghostly == 1) {
ghostly_mega_glove[0][ghostly_num_mega] = rxnID;