Searched refs:allbonds (Results 1 – 7 of 7) sorted by relevance
| /dports/science/xdrawchem/xdrawchem-a3f74c34eb09fa72ee16848ec6901049ca5309d5/xdrawchem/ |
| H A D | molecule_obmol.cpp | 193 QList<Bond *> allbonds; in convertToOBMol() local
200 allbonds = AllBonds(); in convertToOBMol()
227 foreach (tmp_bond, allbonds) { in convertToOBMol()
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| H A D | ioiface.cpp | 240 QList<Bond *> allbonds; in convertToOBMol() local
251 allbonds = this_mol->AllBonds(); in convertToOBMol()
279 foreach (tmp_bond, allbonds) { in convertToOBMol()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/REPLICA/ |
| H A D | fix_hyper_local.cpp | 138 allbonds = 0; in FixHyperLocal()
792 if (allbonds) avebiascoeff_running += sumbiascoeff/allbonds; in pre_reverse()
796 if (allbonds) aveboost_running += sumboost/allbonds; in pre_reverse()
915 double ave = sumbiascoeff / allbonds; in build_bond_list()
1183 MPI_Allreduce(&bondcount,&allbonds,1,MPI_LMP_BIGINT,MPI_SUM,world); in build_bond_list()
1516 if (allbonds) return sumboost/allbonds; in compute_vector()
1542 if (allbonds) return sumbiascoeff/allbonds; in compute_vector()
1558 if (i == 7) return 1.0*allbonds/groupatoms; in compute_vector()
1566 double bondsperatom = 1.0*allbonds/groupatoms; in compute_vector()
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| H A D | fix_hyper_global.cpp | 498 bigint allbonds; in compute_vector() local
499 MPI_Allreduce(&mybonds,&allbonds,1,MPI_LMP_BIGINT,MPI_SUM,world); in compute_vector()
500 return 1.0*allbonds/groupatoms; in compute_vector()
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| H A D | fix_hyper_local.h | 99 bigint allbonds; // current total # of bonds variable
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| /dports/science/smoldyn/smoldyn-2.67/source/BioNetGen/Perl2/Visualization/ |
| H A D | GML.pm | 334 my @allbonds = grep ( { $_->{'Type'} eq 'BondState' } @nodelist);
335 my $bond = findNode(\@allbonds,$parents[0]);
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| H A D | NetworkGraph.pm | 419 my @allbonds = hasType(\@nodelist,'BondState');
421 foreach my $node(@allbonds) { push @allbondparents, @{$node->{'Parents'}}; }
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