Searched refs:inter_ubs (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | topology_connectivity_util.F | 73 inter_bends, inter_bonds, inter_imprs, inter_torsions, inter_ubs, intra_bends, & local
702 inter_ubs = 0
707 inter_ubs = bnd_ctype(2, i) - bnd_ctype(1, i) + 1
709 iub = intra_ubs + inter_ubs
713 WRITE (iw, *) " inter (UB between molecules) :: ", inter_ubs
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | topology_connectivity_util.F | 73 inter_bends, inter_bonds, inter_imprs, inter_torsions, inter_ubs, intra_bends, & local
702 inter_ubs = 0
707 inter_ubs = bnd_ctype(2, i) - bnd_ctype(1, i) + 1
709 iub = intra_ubs + inter_ubs
713 WRITE (iw, *) " inter (UB between molecules) :: ", inter_ubs
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