Searched defs:force_field_pack_tors (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | force_fields_all.F | 1268 CHARACTER(len=*), PARAMETER :: routineN = 'force_field_pack_tors', & argument
1269 routineP = moduleN//':'//routineN
1271 CHARACTER(LEN=default_string_length) :: ldum, name_atm_a, name_atm_b, &
1272 name_atm_c, name_atm_d
1273 INTEGER :: atm_a, atm_b, atm_c, atm_d, first, &
1274 handle2, i, imul, itype, j, k, last, &
1275 natom, ntorsion
1277 LOGICAL :: found, only_qm
1278 TYPE(atomic_kind_type), POINTER :: atomic_kind
1280 TYPE(molecule_type), POINTER :: molecule
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | force_fields_all.F | 1268 CHARACTER(len=*), PARAMETER :: routineN = 'force_field_pack_tors', & argument
1269 routineP = moduleN//':'//routineN
1271 CHARACTER(LEN=default_string_length) :: ldum, name_atm_a, name_atm_b, &
1272 name_atm_c, name_atm_d
1273 INTEGER :: atm_a, atm_b, atm_c, atm_d, first, &
1274 handle2, i, imul, itype, j, k, last, &
1275 natom, ntorsion
1277 LOGICAL :: found, only_qm
1278 TYPE(atomic_kind_type), POINTER :: atomic_kind
1280 TYPE(molecule_type), POINTER :: molecule
[all …]
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