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Searched refs:sac_ae (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_ks_types.F184 sac_ae => Null(), & component
360 … sab_aux_fit_vs_orb, sab_all, sac_ae, sac_ppl, sac_lri, sap_ppnl, sap_oce, sab_lrc, & argument
388 sab_aux_fit_asymm, sab_aux_fit_vs_orb, sab_all, sac_ae, sac_ppl, sac_lri, sap_ppnl, & local
480 IF (PRESENT(sac_ae)) sac_ae => ks_env%sac_ae
615 … sab_aux_fit_vs_orb, sab_all, sac_ae, sac_ppl, sac_lri, sap_ppnl, sap_oce, sab_lrc, & argument
638 sab_aux_fit_asymm, sab_aux_fit_vs_orb, sab_all, sac_ae, sac_ppl, sac_lri, sap_ppnl, & local
707 IF (PRESENT(sac_ae)) ks_env%sac_ae => sac_ae
855 CALL release_sab(ks_env%sac_ae)
H A Dqs_core_hamiltonian.F461 POINTER :: sab_orb, sac_ae, sac_ppl, sap_ppnl local
494 NULLIFY (sab_orb, sac_ae, sac_ppl, sap_ppnl)
497 sac_ae=sac_ae, &
502 all_present = ASSOCIATED(sac_ae)
505 … qs_kind_set, atomic_kind_set, particle_set, sab_orb, sac_ae, nimages, cell_to_index)
H A Dqs_neighbor_lists.F328 sab_lrc, sab_orb, sab_scp, sab_se, sab_tbe, sab_vdw, sab_xb, sac_ae, sac_lri, sac_ppl, & local
349 NULLIFY (sac_ae)
393 sac_ae=sac_ae, &
706 CALL build_neighbor_lists(sac_ae, particle_set, atom2d, cell, pair_radius, &
708 CALL set_ks_env(ks_env=ks_env, sac_ae=sac_ae)
709 CALL write_neighbor_lists(sac_ae, particle_set, cell, para_env, neighbor_list_section, &
H A Dcore_ae.F74 … qs_kind_set, atomic_kind_set, particle_set, sab_orb, sac_ae, nimages, cell_to_index) argument
86 POINTER :: sab_orb, sac_ae local
163 CALL neighbor_list_iterator_create(ap_iterator, sac_ae, search=.TRUE.)
H A Dqs_environment_types.F494 …sab_all, qmmm, qmmm_periodic, sac_ae, sac_ppl, sac_lri, sap_ppnl, sab_vdw, sab_scp, sap_oce, sab_l… argument
534 TYPE(neighbor_list_set_p_type), DIMENSION(:), OPTIONAL, POINTER :: sac_ae, sac_ppl, sac_lri, & local
803 sac_ae=sac_ae, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_ks_types.F184 sac_ae => Null(), & component
360 … sab_aux_fit_vs_orb, sab_all, sac_ae, sac_ppl, sac_lri, sap_ppnl, sap_oce, sab_lrc, & argument
388 sab_aux_fit_asymm, sab_aux_fit_vs_orb, sab_all, sac_ae, sac_ppl, sac_lri, sap_ppnl, & local
480 IF (PRESENT(sac_ae)) sac_ae => ks_env%sac_ae
615 … sab_aux_fit_vs_orb, sab_all, sac_ae, sac_ppl, sac_lri, sap_ppnl, sap_oce, sab_lrc, & argument
638 sab_aux_fit_asymm, sab_aux_fit_vs_orb, sab_all, sac_ae, sac_ppl, sac_lri, sap_ppnl, & local
707 IF (PRESENT(sac_ae)) ks_env%sac_ae => sac_ae
855 CALL release_neighbor_list_sets(ks_env%sac_ae)
H A Dqs_core_hamiltonian.F459 POINTER :: sab_orb, sac_ae, sac_ppl, sap_ppnl local
492 NULLIFY (sab_orb, sac_ae, sac_ppl, sap_ppnl)
495 sac_ae=sac_ae, &
500 all_present = ASSOCIATED(sac_ae)
503 … qs_kind_set, atomic_kind_set, particle_set, sab_orb, sac_ae, nimages, cell_to_index)
H A Dqs_neighbor_lists.F327 sab_lrc, sab_orb, sab_scp, sab_se, sab_tbe, sab_vdw, sab_xb, sac_ae, sac_lri, sac_ppl, & local
348 NULLIFY (sac_ae)
392 sac_ae=sac_ae, &
705 CALL build_neighbor_lists(sac_ae, particle_set, atom2d, cell, pair_radius, &
707 CALL set_ks_env(ks_env=ks_env, sac_ae=sac_ae)
708 CALL write_neighbor_lists(sac_ae, particle_set, cell, para_env, neighbor_list_section, &
H A Dcore_ae.F80 … qs_kind_set, atomic_kind_set, particle_set, sab_orb, sac_ae, nimages, cell_to_index) argument
92 POINTER :: sab_orb, sac_ae local
181 CALL neighbor_list_iterator_create(ap_iterator, sac_ae, search=.TRUE., nthread=nthread)
H A Dqs_environment_types.F506 …sab_all, qmmm, qmmm_periodic, sac_ae, sac_ppl, sac_lri, sap_ppnl, sab_vdw, sab_scp, sap_oce, sab_l… argument
546 TYPE(neighbor_list_set_p_type), DIMENSION(:), OPTIONAL, POINTER :: sac_ae, sac_ppl, sac_lri, & local
823 sac_ae=sac_ae, &