Searched refs:i_mol (Results 1 – 2 of 2) sorted by relevance
/dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/ |
H A D | domdec_topology.cpp | 487 *i_mol = (i_gl - mbi->a_start) - (*mol) * mbi->natoms_mol; in global_atomnr_to_moltype_ind() 1051 int i_mol, in check_assign_interactions_atom() argument 1109 add_posres(mol, i_mol, numAtomsInMolecule, molb, tiatoms, ip_in, idef); in check_assign_interactions_atom() 1113 add_fbposres(mol, i_mol, numAtomsInMolecule, molb, tiatoms, ip_in, idef); in check_assign_interactions_atom() 1131 k_gl = i_gl + iatoms[2] - i_mol; in check_assign_interactions_atom() 1186 k_gl = i_gl + iatoms[k] - i_mol; in check_assign_interactions_atom() 1274 int mb, mt, mol, i_mol; in make_bondeds_zone() local 1289 global_atomnr_to_moltype_ind(rt, i_gl, &mb, &mt, &mol, &i_mol); in make_bondeds_zone() 1294 check_assign_interactions_atom(i, i_gl, mol, i_mol, rt->ril_mt[mt].numAtomsInMolecule, in make_bondeds_zone() 1295 index, rtil, FALSE, index[i_mol], index[i_mol + 1], dd, in make_bondeds_zone() [all …]
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/dports/science/smoldyn/smoldyn-2.67/source/BioNetGen/Perl2/ |
H A D | SpeciesGraph.pm | 935 my ($sg, $i_mol) = @_; 938 my $comp = $sg->Molecules->[$i_mol]->Compartment; 958 &depth_first_search( $i_mol, $adjacency_hash, $compartment_connected ); 1178 for ( my $i_mol = 0; $i_mol < @{$sg->Molecules}; ++$i_mol ) 1180 my $mol = $sg->Molecules->[$i_mol]; 1181 $label_map->{$mol->Label} = "$i_sg.$i_mol" if (defined $mol->Label); 1186 … $label_map->{$comp->Label} = "$i_sg.$i_mol.$i_comp" if (defined $comp->Label); 1650 my $i_mol = 0; 1667 push @{$labeled_edges{$elabel}}, [$i_mol, $i_comp]; 1675 ++$i_mol;
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