Searched refs:k1loc (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | topology_constraint_util.F | 100 INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & local
667 DO k1loc = 1, SIZE(cons_info%fixed_molnames)
668 IF (cons_info%fixed_molnames(k1loc) .EQ. molname) THEN
670 itype = cons_info%fixed_mol_type(k1loc)
750 fixd_list(kk)%restraint%active = cons_info%fixed_mol_restraint(k1loc)
751 fixd_list(kk)%restraint%k0 = cons_info%fixed_mol_k0(k1loc)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | topology_constraint_util.F | 100 INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & local
667 DO k1loc = 1, SIZE(cons_info%fixed_molnames)
668 IF (cons_info%fixed_molnames(k1loc) .EQ. molname) THEN
670 itype = cons_info%fixed_mol_type(k1loc)
750 fixd_list(kk)%restraint%active = cons_info%fixed_mol_restraint(k1loc)
751 fixd_list(kk)%restraint%k0 = cons_info%fixed_mol_k0(k1loc)
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