Searched refs:cons_section (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_resp.F | 180 cell, resp_section, cons_section, rest_section)
218 subsys, natom, cons_section, particle_set)
376 cell, resp_section, cons_section, rest_section) argument
399 cons_section => section_vals_get_subs_vals(resp_section, "CONSTRAINT")
470 CALL section_vals_get(cons_section, explicit=explicit)
472 CALL section_vals_get(cons_section, n_repetition=resp_env%ncons_sec)
474 CALL section_vals_val_get(cons_section, "EQUAL_CHARGES", &
477 CALL build_atom_list(cons_section, subsys, atom_list_cons, i)
1389 subsys, natom, cons_section, particle_set) argument
1396 TYPE(section_vals_type), POINTER :: cons_section local
[all …]
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| H A D | topology_input.F | 580 SUBROUTINE check_restraint(cons_section, is_restraint, k0, i_rep_section, label) argument
581 TYPE(section_vals_type), POINTER :: cons_section local
597 CALL section_vals_get(cons_section, explicit=explicit)
599 restraint_section => section_vals_get_subs_vals(cons_section, "RESTRAINT", &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_resp.F | 180 cell, resp_section, cons_section, rest_section)
218 subsys, natom, cons_section, particle_set)
376 cell, resp_section, cons_section, rest_section) argument
399 cons_section => section_vals_get_subs_vals(resp_section, "CONSTRAINT")
470 CALL section_vals_get(cons_section, explicit=explicit)
472 CALL section_vals_get(cons_section, n_repetition=resp_env%ncons_sec)
474 CALL section_vals_val_get(cons_section, "EQUAL_CHARGES", &
477 CALL build_atom_list(cons_section, subsys, atom_list_cons, i)
1389 subsys, natom, cons_section, particle_set) argument
1396 TYPE(section_vals_type), POINTER :: cons_section local
[all …]
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| H A D | topology_input.F | 580 SUBROUTINE check_restraint(cons_section, is_restraint, k0, i_rep_section, label) argument
581 TYPE(section_vals_type), POINTER :: cons_section local
597 CALL section_vals_get(cons_section, explicit=explicit)
599 restraint_section => section_vals_get_subs_vals(cons_section, "RESTRAINT", &
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