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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/input/
H A Dinput_enumeration_types.F47 INTEGER, DIMENSION(:), POINTER :: i_vals component
63 SUBROUTINE enum_create(enum, c_vals, i_vals, desc, strict) argument
66 INTEGER, DIMENSION(:), INTENT(in) :: i_vals local
76 CPASSERT(SIZE(c_vals) == SIZE(i_vals))
86 ALLOCATE (enum%i_vals(SIZE(i_vals)))
87 enum%i_vals = i_vals
140 DEALLOCATE (enum%i_vals)
172 DO j = 1, SIZE(enum%i_vals)
173 IF (enum%i_vals(j) == i) THEN
185 PRINT *, enum%i_vals
[all …]
H A Dinput_val_types.F101 SUBROUTINE val_create(val, l_val, l_vals, l_vals_ptr, i_val, i_vals, i_vals_ptr, & argument
109 INTEGER, DIMENSION(:), INTENT(in), OPTIONAL :: i_vals local
190 IF (PRESENT(i_vals)) THEN
193 ALLOCATE (val%i_val(SIZE(i_vals)))
194 val%i_val = i_vals
348 i_vals, r_val, r_vals, c_val, c_vals, len_c, type_of_var, enum) argument
353 INTEGER, DIMENSION(:), OPTIONAL, POINTER :: i_vals local
384 IF (PRESENT(i_vals)) i_vals => val%i_val
H A Dinput_keyword_types.F252 CALL enum_create(keyword%enum, c_vals=enum_c_vals, i_vals=enum_i_vals, &
280 l_vals=default_l_vals, i_val=default_i_val, i_vals=default_i_vals, &
336 … l_vals=lone_keyword_l_vals, i_val=lone_keyword_i_val, i_vals=lone_keyword_i_vals, &
350 DO i = 1, SIZE(keyword%enum%i_vals)
351 check = check .OR. (keyword%default_value%i_val(1) == keyword%enum%i_vals(i))
370 DO i = 1, SIZE(keyword%enum%i_vals)
371 check = check .OR. (keyword%default_value%i_val(1) == keyword%enum%i_vals(i))
/dports/science/cp2k-data/cp2k-7.1.0/src/input/
H A Dinput_enumeration_types.F47 INTEGER, DIMENSION(:), POINTER :: i_vals component
63 SUBROUTINE enum_create(enum, c_vals, i_vals, desc, strict) argument
66 INTEGER, DIMENSION(:), INTENT(in) :: i_vals local
76 CPASSERT(SIZE(c_vals) == SIZE(i_vals))
86 ALLOCATE (enum%i_vals(SIZE(i_vals)))
87 enum%i_vals = i_vals
140 DEALLOCATE (enum%i_vals)
172 DO j = 1, SIZE(enum%i_vals)
173 IF (enum%i_vals(j) == i) THEN
185 PRINT *, enum%i_vals
[all …]
H A Dinput_val_types.F101 SUBROUTINE val_create(val, l_val, l_vals, l_vals_ptr, i_val, i_vals, i_vals_ptr, & argument
109 INTEGER, DIMENSION(:), INTENT(in), OPTIONAL :: i_vals local
190 IF (PRESENT(i_vals)) THEN
193 ALLOCATE (val%i_val(SIZE(i_vals)))
194 val%i_val = i_vals
348 i_vals, r_val, r_vals, c_val, c_vals, len_c, type_of_var, enum) argument
353 INTEGER, DIMENSION(:), OPTIONAL, POINTER :: i_vals local
384 IF (PRESENT(i_vals)) i_vals => val%i_val
H A Dinput_keyword_types.F244 CALL enum_create(keyword%enum, c_vals=enum_c_vals, i_vals=enum_i_vals, &
272 l_vals=default_l_vals, i_val=default_i_val, i_vals=default_i_vals, &
328 … l_vals=lone_keyword_l_vals, i_val=lone_keyword_i_val, i_vals=lone_keyword_i_vals, &
342 DO i = 1, SIZE(keyword%enum%i_vals)
343 check = check .OR. (keyword%default_value%i_val(1) == keyword%enum%i_vals(i))
362 DO i = 1, SIZE(keyword%enum%i_vals)
363 check = check .OR. (keyword%default_value%i_val(1) == keyword%enum%i_vals(i))
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dembed_main.F67 INTEGER, DIMENSION(:), POINTER :: group_partition, i_vals local
83 CALL section_vals_val_get(force_env_section, "EMBED%GROUP_PARTITION", i_vals=i_vals)
84 ALLOCATE (group_partition(0:SIZE(i_vals) - 1))
85 group_partition(:) = i_vals
87 ngroup_wish = SIZE(i_vals)
H A Dmixed_main.F67 INTEGER, DIMENSION(:), POINTER :: group_partition, i_vals local
83 CALL section_vals_val_get(force_env_section, "MIXED%GROUP_PARTITION", i_vals=i_vals)
84 ALLOCATE (group_partition(0:SIZE(i_vals) - 1))
85 group_partition(:) = i_vals
87 ngroup_wish = SIZE(i_vals)
H A Dfarming_methods.F128 INTEGER, DIMENSION(:), POINTER :: dependencies, i_vals local
133 NULLIFY (farming_section, jobs_section, print_key, logger, dependencies, i_vals)
151 i_vals=i_vals)
152 ALLOCATE (farming_env%group_partition(0:SIZE(i_vals) - 1))
153 farming_env%group_partition(:) = i_vals
155 farming_env%ngroup_wish = SIZE(i_vals)
227 keyword_name="DEPENDENCIES", i_vals=dependencies)
H A Doptimize_basis_utils.F211 … CALL section_vals_val_get(optbas_section, "BASIS_COMBINATIONS", i_vals=i_vals, i_rep_val=i)
212 opt_bas%combination(i, :) = i_vals(:)
266 INTEGER, DIMENSION(:), POINTER :: i_vals local
306 CALL section_vals_val_get(optbas_section, "GROUP_PARTITION", i_vals=i_vals)
307 isize = SIZE(i_vals)
308 nptot = SUM(i_vals)
731 CALL section_vals_val_get(set1_section, "REFERENCE_SET", i_vals=i_vals, i_rep_section=jset)
732 deriv_info(iset)%reference_set = i_vals(1)
739 … CALL section_vals_val_get(set1_section, "REMOVE_CONTRACTION", i_rep_val=i_rep, i_vals=i_vals, &
750 … CALL section_vals_val_get(set1_section, "REMOVE_SET", i_rep_val=i_rep, i_vals=i_vals, &
[all …]
H A Dlibrary_tests.F717 INTEGER, DIMENSION(:), POINTER :: i_vals local
745 CALL section_vals_val_get(rs_pw_transfer_section, "GRID", i_vals=i_vals)
746 np = i_vals
870 CALL section_vals_val_get(pw_transfer_section, "GRID", i_rep_section=i_rep, i_vals=i_vals)
871 np = i_vals
901 …ALL section_vals_val_get(pw_transfer_section, "PW_GRID_LAYOUT", i_rep_section=i_rep, i_vals=i_vals)
903 layouts(:, 1) = i_vals
1467 i_vals=bs_m)
1469 i_vals=bs_n)
1471 i_vals=bs_k)
[all …]
H A Dmixed_environment_utils.F197 … CALL section_vals_val_get(map_force_ev, "DEFINE_FRAGMENTS", i_rep_section=i, i_vals=list)
206 … CALL section_vals_val_get(fragments_sys, "_DEFAULT_KEYWORD_", i_rep_section=j, i_vals=index_glo)
227 … CALL section_vals_val_get(fragments_loc, "_DEFAULT_KEYWORD_", i_rep_section=i, i_vals=index_loc)
228 … CALL section_vals_val_get(fragments_sys, "_DEFAULT_KEYWORD_", i_rep_section=j, i_vals=index_glo)
H A Dqmmmx_util.F205 i_vals=mm_index_entry)
228 i_vals=mm_index_entry)
249 i_vals=mm_index_entry)
793 i_rep_val=i_rep_val, i_vals=indices_entry)
800 i_rep_val=i_rep_val, i_vals=indices_entry)
809 i_rep_val=i_rep_val, i_vals=labels_entry)
816 i_rep_val=i_rep_val, i_vals=labels_entry)
H A Dmp2_setup.F158 i_vals=mp2_env%ri_g0w0%kp_grid)
196 i_vals=mp2_env%ri_rpa_im_time%kp_grid)
243 CALL section_vals_val_get(mp2_section, "RI%ERI_BLKSIZE", i_vals=mp2_env%eri_blksize)
270 i_vals=tmplist)
H A Dtopology_multiple_unit_cell.F58 i_vals=multiple_unit_cell)
66 i_vals=iwork)
H A Dpw_poisson_read_input.F403 … CALL section_vals_val_get(aa_planar_section, "N_PRTN", i_rep_section=i, i_vals=aa_planar_nprtn)
415 … CALL section_vals_val_get(aa_planar_section, "N_PRTN", i_rep_section=i, i_vals=aa_planar_nprtn)
427 … CALL section_vals_val_get(aa_planar_section, "N_PRTN", i_rep_section=i, i_vals=aa_planar_nprtn)
453 … CALL section_vals_val_get(planar_section, "N_PRTN", i_rep_section=i, i_vals=planar_nprtn)
499 …CALL section_vals_val_get(aa_cylindrical_section, "N_PRTN", i_rep_section=i, i_vals=aa_cylindrical…
547 …CALL section_vals_val_get(aa_cuboidal_section, "N_PRTN", i_rep_section=i, i_vals=aa_cuboidal_nprtn)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dembed_main.F67 INTEGER, DIMENSION(:), POINTER :: group_partition, i_vals local
83 CALL section_vals_val_get(force_env_section, "EMBED%GROUP_PARTITION", i_vals=i_vals)
84 ALLOCATE (group_partition(0:SIZE(i_vals) - 1))
85 group_partition(:) = i_vals
87 ngroup_wish = SIZE(i_vals)
H A Dmixed_main.F67 INTEGER, DIMENSION(:), POINTER :: group_partition, i_vals local
83 CALL section_vals_val_get(force_env_section, "MIXED%GROUP_PARTITION", i_vals=i_vals)
84 ALLOCATE (group_partition(0:SIZE(i_vals) - 1))
85 group_partition(:) = i_vals
87 ngroup_wish = SIZE(i_vals)
H A Dfarming_methods.F128 INTEGER, DIMENSION(:), POINTER :: dependencies, i_vals local
133 NULLIFY (farming_section, jobs_section, print_key, logger, dependencies, i_vals)
151 i_vals=i_vals)
152 ALLOCATE (farming_env%group_partition(0:SIZE(i_vals) - 1))
153 farming_env%group_partition(:) = i_vals
155 farming_env%ngroup_wish = SIZE(i_vals)
227 keyword_name="DEPENDENCIES", i_vals=dependencies)
H A Doptimize_basis_utils.F211 … CALL section_vals_val_get(optbas_section, "BASIS_COMBINATIONS", i_vals=i_vals, i_rep_val=i)
212 opt_bas%combination(i, :) = i_vals(:)
266 INTEGER, DIMENSION(:), POINTER :: i_vals local
306 CALL section_vals_val_get(optbas_section, "GROUP_PARTITION", i_vals=i_vals)
307 isize = SIZE(i_vals)
308 nptot = SUM(i_vals)
731 CALL section_vals_val_get(set1_section, "REFERENCE_SET", i_vals=i_vals, i_rep_section=jset)
732 deriv_info(iset)%reference_set = i_vals(1)
739 … CALL section_vals_val_get(set1_section, "REMOVE_CONTRACTION", i_rep_val=i_rep, i_vals=i_vals, &
750 … CALL section_vals_val_get(set1_section, "REMOVE_SET", i_rep_val=i_rep, i_vals=i_vals, &
[all …]
H A Dmixed_environment_utils.F197 … CALL section_vals_val_get(map_force_ev, "DEFINE_FRAGMENTS", i_rep_section=i, i_vals=list)
206 … CALL section_vals_val_get(fragments_sys, "_DEFAULT_KEYWORD_", i_rep_section=j, i_vals=index_glo)
227 … CALL section_vals_val_get(fragments_loc, "_DEFAULT_KEYWORD_", i_rep_section=i, i_vals=index_loc)
228 … CALL section_vals_val_get(fragments_sys, "_DEFAULT_KEYWORD_", i_rep_section=j, i_vals=index_glo)
H A Dlibrary_tests.F726 INTEGER, DIMENSION(:), POINTER :: i_vals local
754 CALL section_vals_val_get(rs_pw_transfer_section, "GRID", i_vals=i_vals)
755 np = i_vals
879 CALL section_vals_val_get(pw_transfer_section, "GRID", i_rep_section=i_rep, i_vals=i_vals)
880 np = i_vals
910 …ALL section_vals_val_get(pw_transfer_section, "PW_GRID_LAYOUT", i_rep_section=i_rep, i_vals=i_vals)
912 layouts(:, 1) = i_vals
1586 i_vals=bs_m)
1588 i_vals=bs_n)
1590 i_vals=bs_k)
[all …]
H A Dmp2_setup.F215 i_vals=mp2_env%ri_g0w0%kp_grid)
300 i_vals=mp2_env%ri_rpa_im_time%nmao_occ)
302 i_vals=mp2_env%ri_rpa_im_time%nmao_virt)
330 i_vals=mp2_env%ri_rpa_im_time%kp_grid)
370 i_vals=tmplist)
386 CALL section_vals_val_get(mp2_section, "ERI_BLKSIZE", i_vals=mp2_env%eri_blksize)
H A Dqmmmx_util.F205 i_vals=mm_index_entry)
228 i_vals=mm_index_entry)
249 i_vals=mm_index_entry)
793 i_rep_val=i_rep_val, i_vals=indices_entry)
800 i_rep_val=i_rep_val, i_vals=indices_entry)
809 i_rep_val=i_rep_val, i_vals=labels_entry)
816 i_rep_val=i_rep_val, i_vals=labels_entry)
H A Dtopology_multiple_unit_cell.F58 i_vals=multiple_unit_cell)
66 i_vals=iwork)

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