Commit 2304cdd3 authored by jrgissing's avatar jrgissing
Browse files

let fix pour know about molecule template molecule IDs

parent 21ae5ac5
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+7 −1
Original line number Diff line number Diff line
@@ -632,7 +632,13 @@ void FixPour::pre_exchange()
        int 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;