Searched refs:intra_imprs (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | topology_connectivity_util.F | 74 intra_bonds, intra_imprs, intra_torsions, intra_ubs, inum, ires, istart_mol, istart_typ, & local
1040 intra_imprs = 0
1043 intra_imprs = bnd_type(2, i) - bnd_type(1, i) + 1
1048 iimpr = intra_imprs + inter_imprs
1051 WRITE (iw, *) " intra (imprs inside molecules) :: ", intra_imprs
1054 WRITE (iw, *) " intra (opbends inside molecules) :: ", intra_imprs
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | topology_connectivity_util.F | 74 intra_bonds, intra_imprs, intra_torsions, intra_ubs, inum, ires, istart_mol, istart_typ, & local
1040 intra_imprs = 0
1043 intra_imprs = bnd_type(2, i) - bnd_type(1, i) + 1
1048 iimpr = intra_imprs + inter_imprs
1051 WRITE (iw, *) " intra (imprs inside molecules) :: ", intra_imprs
1054 WRITE (iw, *) " intra (opbends inside molecules) :: ", intra_imprs
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