| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_types.F | 182 INTEGER :: neighbor_list_id = -1 component
358 neighbor_list_id, & argument
386 INTEGER, OPTIONAL :: neighbor_list_id local
472 IF (PRESENT(neighbor_list_id)) neighbor_list_id = ks_env%neighbor_list_id
612 neighbor_list_id, & argument
635 INTEGER, OPTIONAL :: neighbor_list_id local
698 IF (PRESENT(neighbor_list_id)) ks_env%neighbor_list_id = neighbor_list_id
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| H A D | qs_elec_field.F | 82 last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & local
118 neighbor_list_id=neighbor_list_id, &
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| H A D | qs_spin_orbit.F | 81 last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & local
117 neighbor_list_id=neighbor_list_id, &
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| H A D | qs_dftb_matrices.F | 894 … INTEGER :: i, natom, neighbor_list_id, nkind, nmat, & local
910 neighbor_list_id=neighbor_list_id)
984 … INTEGER :: i, img, natom, neighbor_list_id, nkind, & local
1000 neighbor_list_id=neighbor_list_id)
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| H A D | qs_operators_ao.F | 78 ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, nseta, nsetb, & local
114 neighbor_list_id=neighbor_list_id, &
433 ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, nseta, nsetb, & local
469 neighbor_list_id=neighbor_list_id, &
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| H A D | qs_environment_types.F | 512 … neighbor_list_id, linres_control, xas_env, virial, cp_ddapc_env, cp_ddapc_ewald, & argument
607 INTEGER, OPTIONAL :: neighbor_list_id local
795 neighbor_list_id=neighbor_list_id, &
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| H A D | admm_methods.F | 1689 natom, neighbor_list_id, nmo local
1725 neighbor_list_id=neighbor_list_id, &
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| H A D | qs_neighbor_lists.F | 386 CALL set_ks_env(ks_env=ks_env, neighbor_list_id=last_qs_neighbor_list_id_nr)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_types.F | 182 INTEGER :: neighbor_list_id = -1 component
358 neighbor_list_id, & argument
386 INTEGER, OPTIONAL :: neighbor_list_id local
472 IF (PRESENT(neighbor_list_id)) neighbor_list_id = ks_env%neighbor_list_id
612 neighbor_list_id, & argument
635 INTEGER, OPTIONAL :: neighbor_list_id local
698 IF (PRESENT(neighbor_list_id)) ks_env%neighbor_list_id = neighbor_list_id
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| H A D | qs_spin_orbit.F | 81 last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & local
117 neighbor_list_id=neighbor_list_id, &
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| H A D | qs_elec_field.F | 82 last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & local
118 neighbor_list_id=neighbor_list_id, &
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| H A D | qs_dftb_matrices.F | 894 … INTEGER :: i, natom, neighbor_list_id, nkind, nmat, & local
910 neighbor_list_id=neighbor_list_id)
984 … INTEGER :: i, img, natom, neighbor_list_id, nkind, & local
1000 neighbor_list_id=neighbor_list_id)
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| H A D | qs_operators_ao.F | 78 ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, nseta, nsetb, & local
114 neighbor_list_id=neighbor_list_id, &
433 ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, nseta, nsetb, & local
469 neighbor_list_id=neighbor_list_id, &
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| H A D | qs_environment_types.F | 524 … neighbor_list_id, linres_control, xas_env, virial, cp_ddapc_env, cp_ddapc_ewald, &
620 INTEGER, OPTIONAL :: neighbor_list_id local
815 neighbor_list_id=neighbor_list_id, &
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| H A D | admm_methods.F | 1982 natom, neighbor_list_id, nmo local
2018 neighbor_list_id=neighbor_list_id, &
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| H A D | qs_neighbor_lists.F | 385 CALL set_ks_env(ks_env=ks_env, neighbor_list_id=last_qs_neighbor_list_id_nr)
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