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Searched refs:cg_n_list (Results 1 – 16 of 16) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhartree_local_methods.F226 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
338 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
409 max_s_harm, llmax, cg_list, cg_n_list, &
418 DEALLOCATE (cg_list, cg_n_list)
616 max_s_harm, llmax, cg_list, cg_n_list, & argument
624 INTEGER, DIMENSION(:) :: cg_n_list local
658 max_s_harm, llmax, cg_list, cg_n_list, max_iso_not0_local)
668 DO icg = 1, cg_n_list(iso)
690 DO icg = 1, cg_n_list(iso)
H A Dqs_electric_field_gradient.F436 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
474 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
481 max_s_harm, llmax, cg_list, cg_n_list, max_iso_not0_local)
513 DO icg = 1, cg_n_list(iso)
542 DO icg = 1, cg_n_list(iso)
565 DEALLOCATE (cg_list, cg_n_list)
H A Dqs_rho0_methods.F94 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
114 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
124 max_s_harm, llmax, cg_list, cg_n_list, max_iso_not0_local)
136 DO icg = 1, cg_n_list(iso)
157 DEALLOCATE (cg_list, cg_n_list)
H A Dqs_vxc_atom.F1015 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
1052 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
1116 DO icg = 1, cg_n_list(iso)
1158 DEALLOCATE (cg_list, cg_n_list)
1189 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list, dcg_n_list local
1230 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm), &
1350 DO icg = 1, cg_n_list(iso)
1424 DEALLOCATE (cg_list, cg_n_list, dcg_list, dcg_n_list)
1451 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list, dcg_n_list local
1561 DO icg = 1, cg_n_list(iso)
[all …]
H A Dqs_rho0_ggrid.F355 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
549 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
631 … max_s_harm, llmax, cg_list, cg_n_list, max_iso_not0_local)
638 DO icg = 1, cg_n_list(iso)
695 DEALLOCATE (cg_list, cg_n_list)
H A Dqs_rho_atom_methods.F120 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list, dacg_n_list, dbcg_n_list local
173 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm), &
196 … max_s_harm, lmax_expansion, cg_list, cg_n_list, max_iso_not0_local)
272 DO icg = 1, cg_n_list(iso)
313 DO icg = 1, cg_n_list(iso)
452 DEALLOCATE (cg_list, cg_n_list, dacg_list, dacg_n_list, dbcg_list, dbcg_n_list)
H A Dqs_linres_atom_current.F649 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list, dacg_n_list local
754 cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm), &
788 … max_s_harm, lmax_expansion, cg_list, cg_n_list, max_iso_not0_local)
956 DO icg = 1, cg_n_list(iso)
1171 cg_list, cg_n_list, dacg_list, dacg_n_list)
H A Dxas_tdp_atom.F3063 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
3098 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
3109 max_s_harm, lmax(iset1) + lmax(iset2), cg_list, cg_n_list, &
3146 DO icg = 1, cg_n_list(iso)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhartree_local_methods.F223 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
350 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
421 max_s_harm, llmax, cg_list, cg_n_list, &
430 DEALLOCATE (cg_list, cg_n_list)
628 max_s_harm, llmax, cg_list, cg_n_list, & argument
636 INTEGER, DIMENSION(:) :: cg_n_list local
670 max_s_harm, llmax, cg_list, cg_n_list, max_iso_not0_local)
680 DO icg = 1, cg_n_list(iso)
702 DO icg = 1, cg_n_list(iso)
H A Dqs_electric_field_gradient.F436 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
474 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
481 max_s_harm, llmax, cg_list, cg_n_list, max_iso_not0_local)
513 DO icg = 1, cg_n_list(iso)
542 DO icg = 1, cg_n_list(iso)
565 DEALLOCATE (cg_list, cg_n_list)
H A Dqs_rho0_methods.F96 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
116 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
126 max_s_harm, llmax, cg_list, cg_n_list, max_iso_not0_local)
138 DO icg = 1, cg_n_list(iso)
159 DEALLOCATE (cg_list, cg_n_list)
H A Dqs_vxc_atom.F998 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
1035 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
1099 DO icg = 1, cg_n_list(iso)
1141 DEALLOCATE (cg_list, cg_n_list)
1172 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list, dcg_n_list local
1213 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm), &
1333 DO icg = 1, cg_n_list(iso)
1407 DEALLOCATE (cg_list, cg_n_list, dcg_list, dcg_n_list)
1434 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list, dcg_n_list local
1544 DO icg = 1, cg_n_list(iso)
[all …]
H A Dqs_rho0_ggrid.F369 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
561 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
644 … max_s_harm, llmax, cg_list, cg_n_list, max_iso_not0_local)
651 DO icg = 1, cg_n_list(iso)
708 DEALLOCATE (cg_list, cg_n_list)
H A Dqs_rho_atom_methods.F123 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list, dacg_n_list, dbcg_n_list local
175 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm), &
198 … max_s_harm, lmax_expansion, cg_list, cg_n_list, max_iso_not0_local)
274 DO icg = 1, cg_n_list(iso)
315 DO icg = 1, cg_n_list(iso)
454 DEALLOCATE (cg_list, cg_n_list, dacg_list, dacg_n_list, dbcg_list, dbcg_n_list)
H A Dqs_linres_atom_current.F649 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list, dacg_n_list local
754 cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm), &
788 … max_s_harm, lmax_expansion, cg_list, cg_n_list, max_iso_not0_local)
956 DO icg = 1, cg_n_list(iso)
1171 cg_list, cg_n_list, dacg_list, dacg_n_list)
H A Dxas_tdp_atom.F3002 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list local
3038 ALLOCATE (cg_list(2, nsoset(maxl)**2, max_s_harm), cg_n_list(max_s_harm))
3049 max_s_harm, lmax(iset1) + lmax(iset2), cg_list, cg_n_list, &
3086 DO icg = 1, cg_n_list(iso)