diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 77472d6b45..80d2b3d48f 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -332,17 +332,6 @@ FixGCMC::~FixGCMC() delete random_equal; delete random_unequal; - // remove groups this fix defined - // only do it if the groups exists and group itself exists - - if (molecule_group && (strcmp(group->names[0],"all") == 0)) { - char **group_arg = new char*[2]; - group_arg[0] = group->names[molecule_group]; - group_arg[1] = (char *) "delete"; - group->assign(2,group_arg); - delete [] group_arg; - } - memory->destroy(local_gas_list); memory->destroy(atom_coord); memory->destroy(coords); @@ -1724,7 +1713,7 @@ void FixGCMC::attempt_molecule_insertion_full() ninsertion_attempts += 1.0; double energy_before = energy_stored; - + tagint maxmol = 0; for (int i = 0; i < atom->nlocal; i++) maxmol = MAX(maxmol,atom->molecule[i]); tagint maxmol_all; @@ -1802,9 +1791,7 @@ void FixGCMC::attempt_molecule_insertion_full() // optionally add to type-based groups atom->mask[m] = groupbitall; - printf("ngrouptypes %d\n",ngrouptypes); for (int igroup = 0; igroup < ngrouptypes; igroup++) { - printf("check type %d %d\n",ngcmc_type,grouptypes[igroup]); if (ngcmc_type == grouptypes[igroup]) atom->mask[m] |= grouptypebits[igroup]; }