Searched refs:sab_ri (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_atom.F | 892 POINTER :: ab_list, ac_list, sab_ri local
897 NULLIFY (qs_kind_set, basis_set_ri, basis_set_orb, ac_list, rho, rho_ao, sab_ri, ri_mats)
925 CALL build_xas_tdp_ovlp_nl(sab_ri, basis_set_ri, basis_set_ri, qs_env)
926 CALL build_overlap_matrix_simple(qs_env%ks_env, overlap, basis_set_ri, basis_set_ri, sab_ri)
928 CALL release_neighbor_list_sets(sab_ri)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_atom.F | 880 POINTER :: ab_list, ac_list, sab_ri local
887 NULLIFY (qs_kind_set, basis_set_ri, basis_set_orb, ac_list, rho, rho_ao, sab_ri, ri_mats)
917 CALL build_xas_tdp_ovlp_nl(sab_ri, basis_set_ri, basis_set_ri, qs_env)
918 CALL build_overlap_matrix_simple(qs_env%ks_env, overlap, basis_set_ri, basis_set_ri, sab_ri)
920 CALL release_sab(sab_ri)
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