Searched defs:eval_bsse_energy_low (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | bsse.F | 236 CHARACTER(LEN=*), PARAMETER :: routineN = 'eval_bsse_energy_low', & argument
237 routineP = moduleN//':'//routineN
239 CHARACTER(LEN=default_string_length) :: name
242 INTEGER :: i, ir, isize, j, k, method_name_id, &
243 my_targ, n_rep, num_of_frag, old_size, &
244 present_charge, present_multpl
245 INTEGER, DIMENSION(:), POINTER :: atom_index, atom_list, my_conf, tmplist
246 TYPE(cell_type), POINTER :: cell
248 TYPE(cp_subsys_type), POINTER :: subsys, subsys_loc
252 TYPE(section_vals_type), POINTER :: bsse_section, dft_section, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | bsse.F | 236 CHARACTER(LEN=*), PARAMETER :: routineN = 'eval_bsse_energy_low', & argument
237 routineP = moduleN//':'//routineN
239 CHARACTER(LEN=default_string_length) :: name
242 INTEGER :: i, ir, isize, j, k, method_name_id, &
243 my_targ, n_rep, num_of_frag, old_size, &
244 present_charge, present_multpl
245 INTEGER, DIMENSION(:), POINTER :: atom_index, atom_list, my_conf, tmplist
246 TYPE(cell_type), POINTER :: cell
248 TYPE(cp_subsys_type), POINTER :: subsys, subsys_loc
252 TYPE(section_vals_type), POINTER :: bsse_section, dft_section, &
[all …]
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