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correction to molecule-ID-increment logic

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This commit is contained in:
jrgissing
2020-03-08 16:06:49 -06:00
parent d717eeba66
commit 73186e4d26
3 changed files with 23 additions and 4 deletions
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8
src/MISC/fix_deposit.cpp
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@ -609,7 +609,13 @@ void FixDeposit::pre_exchange()
maxtag_all += natom;
if (maxtag_all >= MAXTAGINT)
error->all(FLERR,"New atom IDs exceed maximum allowed ID");
if (mode == MOLECULE && atom->molecule_flag) maxmol_all++;
if (mode == MOLECULE && atom->molecule_flag) {
if (onemols[imol]->moleculeflag) {
maxmol_all += onemols[imol]->nmolecules;
} else {
maxmol_all++;
}
}
if (atom->map_style) {
atom->map_init();
atom->map_set();