let 'fix deposit' know about molecule template molecule IDs (11101246) · Commits · 郑智淋 / lammps

src/MISC/fix_deposit.cpp

+7 −1

Original line number	Diff line number	Diff line
		@@ -539,7 +539,13 @@ void FixDeposit::pre_exchange()
		n = atom->nlocal - 1;
		atom->tag[n] = maxtag_all + m+1;
		if (mode == MOLECULE) {
		if (atom->molecule_flag) atom->molecule[n] = maxmol_all+1;
		if (atom->molecule_flag) {
		if (onemols[imol]->moleculeflag) {
		atom->molecule[n] = maxmol_all + onemols[imol]->molecule[m];
		} else {
		atom->molecule[n] = maxmol_all+1;
		}
		}
		if (atom->molecular == 2) {
		atom->molindex[n] = 0;
		atom->molatom[n] = m;