Searched defs:force_field_pack_nonbond14 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | force_fields_all.F | 2569 CHARACTER(len=*), PARAMETER :: routineN = 'force_field_pack_nonbond14', & argument
2570 routineP = moduleN//':'//routineN
2572 CHARACTER(LEN=default_string_length) :: name_atm_a, name_atm_a_local, &
2573 name_atm_b, name_atm_b_local
2574 INTEGER :: handle2, i, ii, j, jj, k, match_names
2575 LOGICAL :: found, found_a, found_b, only_qm, &
2576 use_qmmm_ff
2577 REAL(KIND=dp) :: epsilon0, epsilon_a, epsilon_b, &
2578 ewald_rcut, rmin, rmin2_a, rmin2_b
2579 TYPE(atomic_kind_type), POINTER :: atomic_kind
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | force_fields_all.F | 2569 CHARACTER(len=*), PARAMETER :: routineN = 'force_field_pack_nonbond14', & argument
2570 routineP = moduleN//':'//routineN
2572 CHARACTER(LEN=default_string_length) :: name_atm_a, name_atm_a_local, &
2573 name_atm_b, name_atm_b_local
2574 INTEGER :: handle2, i, ii, j, jj, k, match_names
2575 LOGICAL :: found, found_a, found_b, only_qm, &
2576 use_qmmm_ff
2577 REAL(KIND=dp) :: epsilon0, epsilon_a, epsilon_b, &
2578 ewald_rcut, rmin, rmin2_a, rmin2_b
2579 TYPE(atomic_kind_type), POINTER :: atomic_kind
[all …]
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