/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_ks_types.F | 184 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)
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H A D | qs_core_hamiltonian.F | 461 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)
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H A D | qs_neighbor_lists.F | 328 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, &
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H A D | core_ae.F | 74 … 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.)
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H A D | qs_environment_types.F | 494 …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, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_ks_types.F | 184 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)
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H A D | qs_core_hamiltonian.F | 459 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)
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H A D | qs_neighbor_lists.F | 327 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, &
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H A D | core_ae.F | 80 … 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)
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H A D | qs_environment_types.F | 506 …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, &
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