Searched refs:neighbor_list_set (Results 1 – 16 of 16) sorted by relevance
209 … CALL get_neighbor_list_set(neighbor_list_set=nl(il)%neighbor_list_set, nlist=nlist)649 IF (ASSOCIATED(neighbor_list_set)) THEN705 neighbor_list_set%nlist = neighbor_list_set%nlist + 1840 IF (ASSOCIATED(neighbor_list_set)) THEN846 ALLOCATE (neighbor_list_set)903 IF (ASSOCIATED(neighbor_list_set)) THEN913 DEALLOCATE (neighbor_list_set)1001 IF (ASSOCIATED(neighbor_list_set)) THEN1038 NULLIFY (neighbor_list_set)1040 neighbor_list_set => neighbor_list_sets(i)%neighbor_list_set[all …]
149 CALL deallocate_neighbor_list_set(kg_env%sab_orb_full(iab)%neighbor_list_set)155 CALL deallocate_neighbor_list_set(kg_env%sac_kin(iab)%neighbor_list_set)166 CALL deallocate_neighbor_list_set(kg_env%subset(isub)%sab_orb(iab)%neighbor_list_set)200 CALL deallocate_neighbor_list_set(kg_env%ec_env%sab_orb(iab)%neighbor_list_set)206 CALL deallocate_neighbor_list_set(kg_env%ec_env%sac_ppl(iab)%neighbor_list_set)212 CALL deallocate_neighbor_list_set(kg_env%ec_env%sap_ppnl(iab)%neighbor_list_set)
168 CALL deallocate_neighbor_list_set(dispersion_env%sab_vdw(iab)%neighbor_list_set)174 CALL deallocate_neighbor_list_set(dispersion_env%sab_cn(iab)%neighbor_list_set)
76 CALL deallocate_neighbor_list_set(gcp_env%sab_gcp(iab)%neighbor_list_set)
273 CALL deallocate_neighbor_list_set(smm_list(iab)%neighbor_list_set)279 CALL deallocate_neighbor_list_set(smo_list(iab)%neighbor_list_set)
1010 TYPE(neighbor_list_set_type), POINTER :: neighbor_list_set local1054 CALL deallocate_neighbor_list_set(ab_list(iab)%neighbor_list_set)1062 NULLIFY (ab_list(iab)%neighbor_list_set)1174 CALL allocate_neighbor_list_set(neighbor_list_set=ab_list(iab)%neighbor_list_set, &1176 neighbor_list_set => ab_list(iab)%neighbor_list_set1181 CALL add_neighbor_list(neighbor_list_set=neighbor_list_set, &
325 CALL deallocate_neighbor_list_set(sub_env%sab_aux_fit(i)%neighbor_list_set)332 CALL deallocate_neighbor_list_set(sub_env%sab_orb(i)%neighbor_list_set)
579 CALL deallocate_neighbor_list_set(sab_orb_sub(i)%neighbor_list_set)602 CALL deallocate_neighbor_list_set(sab_orb_all(i)%neighbor_list_set)695 CALL deallocate_neighbor_list_set(sab_orb_sub(i)%neighbor_list_set)772 CALL deallocate_neighbor_list_set(sab_orb_sub(i)%neighbor_list_set)1545 CALL deallocate_neighbor_list_set(sab_orb_sub(i)%neighbor_list_set)1647 CALL deallocate_neighbor_list_set(sab_orb_sub(i)%neighbor_list_set)2053 CALL deallocate_neighbor_list_set(sab_orb_sub(i)%neighbor_list_set)2067 CALL deallocate_neighbor_list_set(sab_orb_sub(i)%neighbor_list_set)
470 CALL deallocate_neighbor_list_set(lri_env%soo_list(i)%neighbor_list_set)476 CALL deallocate_neighbor_list_set(lri_env%saa_list(i)%neighbor_list_set)482 CALL deallocate_neighbor_list_set(lri_env%soa_list(i)%neighbor_list_set)
854 CALL deallocate_neighbor_list_set(smm_list(iab)%neighbor_list_set)860 CALL deallocate_neighbor_list_set(smo_list(iab)%neighbor_list_set)
841 … CALL deallocate_neighbor_list_set(kg_env%subset(isub)%sab_orb(iab)%neighbor_list_set)
900 CALL deallocate_neighbor_list_set(sab(i)%neighbor_list_set)
2551 CALL deallocate_neighbor_list_set(sab_orb_mic(iab)%neighbor_list_set)2582 CALL deallocate_neighbor_list_set(sgwgw_list(iab)%neighbor_list_set)2589 CALL deallocate_neighbor_list_set(sgworb_list(iab)%neighbor_list_set)
248 CALL deallocate_neighbor_list_set(ij_list(i)%neighbor_list_set)
214 … CALL get_neighbor_list_set(neighbor_list_set=nl(il)%neighbor_list_set, nlist=nlist)654 IF (ASSOCIATED(neighbor_list_set)) THEN710 neighbor_list_set%nlist = neighbor_list_set%nlist + 1845 IF (ASSOCIATED(neighbor_list_set)) THEN851 ALLOCATE (neighbor_list_set)908 IF (ASSOCIATED(neighbor_list_set)) THEN918 DEALLOCATE (neighbor_list_set)1006 IF (ASSOCIATED(neighbor_list_set)) THEN1043 NULLIFY (neighbor_list_set)1045 neighbor_list_set => neighbor_list_sets(i)%neighbor_list_set[all …]
1009 TYPE(neighbor_list_set_type), POINTER :: neighbor_list_set local1058 NULLIFY (ab_list(iab)%neighbor_list_set)1174 CALL allocate_neighbor_list_set(neighbor_list_set=ab_list(iab)%neighbor_list_set, &1176 neighbor_list_set => ab_list(iab)%neighbor_list_set1181 CALL add_neighbor_list(neighbor_list_set=neighbor_list_set, &