Searched refs:sab_gcp (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_gcp_types.F | 48 … DIMENSION(:), POINTER :: sab_gcp => Null() ! neighborlists for pair interactions component 74 IF (ASSOCIATED(gcp_env%sab_gcp)) THEN 75 DO iab = 1, SIZE(gcp_env%sab_gcp) 76 CALL deallocate_neighbor_list_set(gcp_env%sab_gcp(iab)%neighbor_list_set) 78 DEALLOCATE (gcp_env%sab_gcp)
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H A D | qs_gcp_method.F | 93 POINTER :: sab_gcp local 104 NULLIFY (atomic_kind_set, qs_kind_set, particle_set, sab_gcp) 171 sab_gcp => gcp_env%sab_gcp 172 CALL neighbor_list_iterator_create(nl_iterator, sab_gcp)
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H A D | qs_neighbor_lists.F | 327 sab_aux_fit, sab_aux_fit_asymm, sab_aux_fit_vs_orb, sab_cn, sab_core, sab_gcp, sab_kp, & local 837 sab_gcp => gcp_env%sab_gcp 842 CALL build_neighbor_lists(sab_gcp, particle_set, atom2d, cell, pair_radius, & 844 gcp_env%sab_gcp => sab_gcp 846 NULLIFY (gcp_env%sab_gcp)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_gcp_types.F | 48 … DIMENSION(:), POINTER :: sab_gcp => Null() ! neighborlists for pair interactions component 72 CALL release_neighbor_list_sets(gcp_env%sab_gcp)
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H A D | qs_gcp_method.F | 93 POINTER :: sab_gcp local 104 NULLIFY (atomic_kind_set, qs_kind_set, particle_set, sab_gcp) 171 sab_gcp => gcp_env%sab_gcp 172 CALL neighbor_list_iterator_create(nl_iterator, sab_gcp)
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H A D | qs_neighbor_lists.F | 326 sab_aux_fit, sab_aux_fit_asymm, sab_aux_fit_vs_orb, sab_cn, sab_core, sab_gcp, sab_kp, & local 836 sab_gcp => gcp_env%sab_gcp 841 CALL build_neighbor_lists(sab_gcp, particle_set, atom2d, cell, pair_radius, & 843 gcp_env%sab_gcp => sab_gcp 845 NULLIFY (gcp_env%sab_gcp)
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