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Searched refs:sab_gcp (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_gcp_types.F48 … 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)
H A Dqs_gcp_method.F93 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)
H A Dqs_neighbor_lists.F327 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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_gcp_types.F48 … DIMENSION(:), POINTER :: sab_gcp => Null() ! neighborlists for pair interactions component
72 CALL release_neighbor_list_sets(gcp_env%sab_gcp)
H A Dqs_gcp_method.F93 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)
H A Dqs_neighbor_lists.F326 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)