# 1 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" 1 !--------------------------------------------------------------------------------------------------! ! Copyright (C) by the DBCSR developers group - All rights reserved ! ! This file is part of the DBCSR library. ! ! ! ! For information on the license, see the LICENSE file. ! ! For further information please visit https://dbcsr.cp2k.org ! ! SPDX-License-Identifier: GPL-2.0+ ! !--------------------------------------------------------------------------------------------------! # 1 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor.fypp" 1 # 9 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor.fypp" # 241 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor.fypp" # 11 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" 2 # 12 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 13 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" MODULE dbcsr_tensor_api_c USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_loc, c_ptr, c_double, c_sizeof, C_NULL_CHAR, & c_float, c_f_pointer, c_int, c_long_long, & c_char, c_null_ptr, c_bool, c_associated, & c_float_complex, c_double_complex USE dbcsr_api, ONLY: dbcsr_type, dbcsr_scale USE dbcsr_allocate_wrap, ONLY: allocate_any USE dbcsr_tensor_api USE dbcsr_kinds, ONLY: & real_8, real_4, default_string_length, int_8 USE dbcsr_data_types, ONLY: dbcsr_scalar_type USE dbcsr_data_methods, ONLY: dbcsr_scalar USE dbcsr_machine, ONLY: default_output_unit USE dbcsr_tensor_index, ONLY: & dbcsr_t_get_mapping_info, ndims_mapping, nd_to_2d_mapping USE dbcsr_tensor_types, ONLY: dbcsr_t_create, dbcsr_t_type USE dbcsr_tas_types, ONLY: dbcsr_tas_type USE dbcsr_tas_base, ONLY: dbcsr_tas_get_block_p USE dbcsr_tensor_index, ONLY: get_2d_indices_tensor USE dbcsr_data_methods, ONLY: dbcsr_get_data_p IMPLICIT NONE PRIVATE CONTAINS SUBROUTINE c_f_string(c_str, str) USE, INTRINSIC :: iso_c_binding, ONLY: c_ptr, c_f_pointer, c_char TYPE(c_ptr), INTENT(in) :: c_str CHARACTER(kind=c_char), POINTER :: arr(:) CHARACTER(:, kind=c_char), ALLOCATABLE, INTENT(out) :: str INTEGER(8) :: n, i INTERFACE ! steal std c library function rather than writing our own. FUNCTION strlen(s) bind(c, name='strlen') USE, INTRINSIC :: iso_c_binding, ONLY: c_ptr, c_size_t IMPLICIT NONE !---- TYPE(c_ptr), INTENT(in), value :: s INTEGER(c_size_t) :: strlen END FUNCTION strlen END INTERFACE n = strlen(c_str) !**** CALL c_f_pointer(c_str, arr, [n]) ALLOCATE (CHARACTER(len=n) :: str) DO i = 1, n str(i:i) = arr(i) END DO END SUBROUTINE c_f_string SUBROUTINE c_dbcsr_t_finalize(c_tensor) BIND(C, name="c_dbcsr_t_finalize") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_finalize(tensor) END SUBROUTINE SUBROUTINE c_dbcsr_t_pgrid_create_expert(fcomm, c_dims, dims_size, c_pgrid, & c_map1_2d, map1_2d_size, c_map2_2d, & map2_2d_size, c_tensor_dims, nsplit, dimsplit) & bind(C, name="c_dbcsr_t_pgrid_create_expert") INTEGER(kind=c_int), INTENT(in) :: fcomm INTEGER(kind=c_int), INTENT(in), value :: dims_size TYPE(c_ptr), INTENT(out) :: c_pgrid INTEGER(kind=c_int), INTENT(out) :: c_dims(dims_size) INTEGER(kind=c_int), INTENT(out), OPTIONAL, & DIMENSION(dims_size) :: c_tensor_dims INTEGER(kind=c_int), INTENT(in), VALUE :: map1_2d_size INTEGER(kind=c_int), INTENT(in) :: c_map1_2d(map1_2d_size) INTEGER(kind=c_int), INTENT(in), VALUE :: map2_2d_size INTEGER(kind=c_int), INTENT(in) :: c_map2_2d(map2_2d_size) INTEGER(kind=c_int), INTENT(in), OPTIONAL :: nsplit, dimsplit TYPE(dbcsr_t_pgrid_type), POINTER :: pgrid ALLOCATE (pgrid) CALL dbcsr_t_pgrid_create_expert(fcomm, c_dims, pgrid, c_map1_2d + 1, c_map2_2d + 1, c_tensor_dims, & nsplit, dimsplit) c_pgrid = c_loc(pgrid) END SUBROUTINE SUBROUTINE c_dbcsr_t_pgrid_create(fcomm, c_dims, dims_size, c_pgrid, c_tensor_dims) & bind(C, name="c_dbcsr_t_pgrid_create") INTEGER(kind=c_int), INTENT(in) :: fcomm INTEGER(kind=c_int), INTENT(in), value :: dims_size TYPE(c_ptr), INTENT(out) :: c_pgrid INTEGER(kind=c_int), INTENT(out) :: c_dims(dims_size) INTEGER(kind=c_int), INTENT(in), OPTIONAL :: c_tensor_dims(dims_size) TYPE(dbcsr_t_pgrid_type), POINTER :: pgrid ALLOCATE (pgrid) IF (PRESENT(c_tensor_dims)) THEN CALL dbcsr_t_pgrid_create(fcomm, c_dims, pgrid, c_tensor_dims) ELSE CALL dbcsr_t_pgrid_create(fcomm, c_dims, pgrid) END IF c_pgrid = c_loc(pgrid) END SUBROUTINE SUBROUTINE c_dbcsr_t_pgrid_destroy(c_pgrid, c_keep_comm) & BIND(C, name="c_dbcsr_t_pgrid_destroy") TYPE(c_ptr), INTENT(INOUT) :: c_pgrid LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_keep_comm TYPE(dbcsr_t_pgrid_type), POINTER :: pgrid LOGICAL :: keep_comm CALL c_f_pointer(c_pgrid, pgrid) IF (PRESENT(c_keep_comm)) THEN keep_comm = c_keep_comm CALL dbcsr_t_pgrid_destroy(pgrid, keep_comm) ELSE CALL dbcsr_t_pgrid_destroy(pgrid) END IF IF (ASSOCIATED(pgrid)) DEALLOCATE (pgrid) c_pgrid = c_null_ptr END SUBROUTINE SUBROUTINE c_dbcsr_t_distribution_new(c_dist, c_pgrid, c_nd_dist_1, c_nd_dist_1_size, c_nd_dist_2, c_nd_dist_2_size,& # 150 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" & c_nd_dist_3, c_nd_dist_3_size, c_nd_dist_4, c_nd_dist_4_size) & bind(C, name="c_dbcsr_t_distribution_new") TYPE(c_ptr), INTENT(OUT) :: c_dist TYPE(c_ptr), INTENT(IN), value :: c_pgrid INTEGER(kind=c_int), INTENT(in), value :: c_nd_dist_1_size, c_nd_dist_2_size, c_nd_dist_3_size, c_nd_dist_4_size INTEGER(kind=c_int), INTENT(IN), TARGET, OPTIONAL :: c_nd_dist_1(c_nd_dist_1_size), c_nd_dist_2(c_nd_dist_2_size),& # 157 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" & c_nd_dist_3(c_nd_dist_3_size), c_nd_dist_4(c_nd_dist_4_size) TYPE(dbcsr_t_pgrid_type), POINTER :: pgrid TYPE(dbcsr_t_distribution_type), POINTER :: dist INTEGER, DIMENSION(:), POINTER :: nd_dist_1, nd_dist_2, nd_dist_3, nd_dist_4 ALLOCATE (dist) CALL c_f_pointer(c_pgrid, pgrid) # 169 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (nd_dist_1) IF (PRESENT(c_nd_dist_1)) THEN nd_dist_1 => c_nd_dist_1 END IF # 169 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (nd_dist_2) IF (PRESENT(c_nd_dist_2)) THEN nd_dist_2 => c_nd_dist_2 END IF # 169 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (nd_dist_3) IF (PRESENT(c_nd_dist_3)) THEN nd_dist_3 => c_nd_dist_3 END IF # 169 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (nd_dist_4) IF (PRESENT(c_nd_dist_4)) THEN nd_dist_4 => c_nd_dist_4 END IF # 174 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" CALL dbcsr_t_distribution_new(dist, pgrid, nd_dist_1, nd_dist_2, nd_dist_3, nd_dist_4) c_dist = c_loc(dist) END SUBROUTINE SUBROUTINE c_dbcsr_t_distribution_destroy(c_dist) BIND(C, name="c_dbcsr_t_distribution_destroy") TYPE(c_ptr), INTENT(INOUT) :: c_dist TYPE(dbcsr_t_distribution_type), POINTER :: dist CALL c_f_pointer(c_dist, dist) CALL dbcsr_t_distribution_destroy(dist) IF (ASSOCIATED(dist)) DEALLOCATE (dist) c_dist = c_null_ptr END SUBROUTINE SUBROUTINE c_dbcsr_t_create_new(c_tensor, c_name, c_dist, c_map1_2d, map1_2d_size, & c_map2_2d, map2_2d_size, c_data_type, c_blk_size_1, c_blk_size_1_size, c_blk_size_2,& # 195 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" & c_blk_size_2_size, c_blk_size_3, c_blk_size_3_size, c_blk_size_4, c_blk_size_4_size) & bind(C, name="c_dbcsr_t_create_new") TYPE(c_ptr), INTENT(OUT) :: c_tensor TYPE(c_ptr), INTENT(IN), value :: c_dist, c_name INTEGER(kind=c_int), INTENT(in), value :: map1_2d_size INTEGER(kind=c_int), INTENT(in), TARGET :: c_map1_2d(map1_2d_size) INTEGER(kind=c_int), INTENT(in), value :: map2_2d_size INTEGER(kind=c_int), INTENT(in), TARGET :: c_map2_2d(map2_2d_size) INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_data_type INTEGER(kind=c_int), INTENT(in), value :: c_blk_size_1_size, c_blk_size_2_size, c_blk_size_3_size,& # 208 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" & c_blk_size_4_size INTEGER(kind=c_int), INTENT(IN), TARGET, OPTIONAL :: c_blk_size_1(c_blk_size_1_size), c_blk_size_2(c_blk_size_2_size),& # 209 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" & c_blk_size_3(c_blk_size_3_size), c_blk_size_4(c_blk_size_4_size) CHARACTER(:, kind=c_char), ALLOCATABLE :: fname TYPE(dbcsr_t_type), POINTER :: tensor TYPE(dbcsr_t_distribution_type), POINTER :: dist INTEGER, DIMENSION(:), POINTER :: blk_size_1, blk_size_2, blk_size_3, blk_size_4 ALLOCATE (tensor) CALL c_f_pointer(c_dist, dist) CALL c_f_string(c_name, fname) # 224 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (blk_size_1) IF (PRESENT(c_blk_size_1)) THEN blk_size_1 => c_blk_size_1 END IF # 224 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (blk_size_2) IF (PRESENT(c_blk_size_2)) THEN blk_size_2 => c_blk_size_2 END IF # 224 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (blk_size_3) IF (PRESENT(c_blk_size_3)) THEN blk_size_3 => c_blk_size_3 END IF # 224 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (blk_size_4) IF (PRESENT(c_blk_size_4)) THEN blk_size_4 => c_blk_size_4 END IF # 229 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" CALL dbcsr_t_create(tensor, fname, dist, c_map1_2d + 1, c_map2_2d + 1, c_data_type, & blk_size_1, blk_size_2, blk_size_3, blk_size_4) c_tensor = c_loc(tensor) END SUBROUTINE SUBROUTINE c_dbcsr_t_create_template(c_tensor_in, c_tensor, c_name, c_dist, & c_map1_2d, map1_2d_size, c_map2_2d, map2_2d_size, data_type) & BIND(C, name="c_dbcsr_t_create_template") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_in TYPE(c_ptr), INTENT(OUT) :: c_tensor TYPE(c_ptr), INTENT(IN), VALUE :: c_name TYPE(c_ptr), INTENT(IN), VALUE :: c_dist INTEGER(kind=c_int), INTENT(in), value :: map1_2d_size INTEGER(kind=c_int), INTENT(in), TARGET, OPTIONAL :: c_map1_2d(map1_2d_size) INTEGER(kind=c_int), INTENT(in), value :: map2_2d_size INTEGER(kind=c_int), INTENT(in), TARGET, OPTIONAL :: c_map2_2d(map2_2d_size) INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: data_type TYPE(dbcsr_t_type), POINTER :: tensor_in TYPE(dbcsr_t_type), POINTER :: tensor CHARACTER(:, kind=c_char), ALLOCATABLE :: fname TYPE(dbcsr_t_distribution_type), POINTER :: dist INTEGER, DIMENSION(:), POINTER :: map1_2d, map2_2d CALL c_f_pointer(c_tensor_in, tensor_in) IF (c_associated(c_name)) CALL c_f_string(c_name, fname) ALLOCATE (tensor) NULLIFY (dist) IF (C_ASSOCIATED(c_dist)) CALL c_f_pointer(c_dist, dist) NULLIFY (map1_2d, map2_2d) IF (PRESENT(c_map1_2d) .AND. PRESENT(c_map2_2d)) THEN ALLOCATE (map1_2d(SIZE(c_map1_2d))) ALLOCATE (map2_2d(SIZE(c_map2_2d))) map1_2d = c_map1_2d + 1 map2_2d = c_map2_2d + 1 END IF CALL dbcsr_t_create(tensor_in, tensor, fname, dist, & map1_2d, map2_2d, data_type) c_tensor = c_loc(tensor) IF (ASSOCIATED(map1_2d)) DEALLOCATE (map1_2d) IF (ASSOCIATED(map2_2d)) DEALLOCATE (map2_2d) END SUBROUTINE SUBROUTINE c_dbcsr_t_create_matrix(c_matrix_in, c_tensor, c_order, c_name) & BIND(C, name="c_dbcsr_t_create_matrix") TYPE(c_ptr), INTENT(IN), VALUE :: c_matrix_in TYPE(c_ptr), INTENT(OUT) :: c_tensor INTEGER(kind=c_int), INTENT(IN), DIMENSION(2), & OPTIONAL :: c_order TYPE(c_ptr), INTENT(IN), OPTIONAL :: c_name TYPE(dbcsr_type), POINTER :: matrix_in TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(2) :: order CHARACTER(:, kind=c_char), ALLOCATABLE :: fname CALL c_f_pointer(c_matrix_in, matrix_in) IF (PRESENT(c_name)) CALL c_f_string(c_name, fname) IF (PRESENT(c_order)) THEN order = c_order + 1 ELSE order = [1, 2] END IF ALLOCATE (tensor) CALL dbcsr_t_create(matrix_in, tensor, order, fname) c_tensor = c_loc(tensor) END SUBROUTINE SUBROUTINE c_dbcsr_t_destroy(c_tensor) BIND(C, name="c_dbcsr_t_destroy") TYPE(c_ptr), INTENT(INOUT) :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_destroy(tensor) IF (ASSOCIATED(tensor)) DEALLOCATE (tensor) c_tensor = c_null_ptr END SUBROUTINE # 330 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_contract_r_dp (c_alpha, c_tensor_1, c_tensor_2, c_beta, c_tensor_3, & c_contract_1, contract_1_size, & c_notcontract_1, notcontract_1_size, & c_contract_2, contract_2_size, & c_notcontract_2, notcontract_2_size, & c_map_1, map_1_size, c_map_2, map_2_size, & c_bounds_1, c_bounds_2, c_bounds_3, & c_optimize_dist, c_pgrid_opt_1, c_pgrid_opt_2, c_pgrid_opt_3, & c_filter_eps, c_flop, c_move_data, c_retain_sparsity, & c_unit_nr, c_log_verbose) & BIND(C, name="c_dbcsr_t_contract_r_dp") REAL (kind=c_double), INTENT(IN), VALUE :: c_alpha TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_1, c_tensor_2 REAL (kind=c_double), INTENT(IN), VALUE :: c_beta TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: contract_1_size, contract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: notcontract_1_size, notcontract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: map_1_size, map_2_size INTEGER(kind=c_int), INTENT(IN), TARGET :: c_contract_1(contract_1_size), c_contract_2(contract_2_size) INTEGER(kind=c_int), INTENT(IN), TARGET :: c_map_1(map_1_size), c_map_2(map_2_size) INTEGER(kind=c_int), INTENT(IN), TARGET :: c_notcontract_1(notcontract_1_size), c_notcontract_2(notcontract_2_size) INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, contract_1_size), & OPTIONAL :: c_bounds_1 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_1_size), & OPTIONAL :: c_bounds_2 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_2_size), & OPTIONAL :: c_bounds_3 LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_optimize_dist TYPE(c_ptr), INTENT(OUT), OPTIONAL :: c_pgrid_opt_1, c_pgrid_opt_2, c_pgrid_opt_3 REAL(kind=c_double), INTENT(IN), OPTIONAL :: c_filter_eps INTEGER(kind=c_long_long), INTENT(INOUT), OPTIONAL :: c_flop LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_move_data LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_retain_sparsity INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_unit_nr LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_log_verbose TYPE(dbcsr_t_type), POINTER :: tensor_1 TYPE(dbcsr_t_type), POINTER :: tensor_2 TYPE(dbcsr_t_type), POINTER :: tensor_3 LOGICAL, POINTER :: optimize_dist TYPE(dbcsr_t_pgrid_type), POINTER :: pgrid_opt_1, pgrid_opt_2, pgrid_opt_3 INTEGER, DIMENSION(:, :), ALLOCATABLE :: bounds_1, bounds_2, bounds_3 LOGICAL, POINTER :: move_data LOGICAL, POINTER :: retain_sparsity LOGICAL, POINTER :: log_verbose CALL c_f_pointer(c_tensor_1, tensor_1) CALL c_f_pointer(c_tensor_2, tensor_2) CALL c_f_pointer(c_tensor_3, tensor_3) # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_1)) THEN ALLOCATE (bounds_1 (2, SIZE(c_bounds_1, 2))) bounds_1 (:, :) = c_bounds_1 (:, :) + 1 END IF # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_2)) THEN ALLOCATE (bounds_2 (2, SIZE(c_bounds_2, 2))) bounds_2 (:, :) = c_bounds_2 (:, :) + 1 END IF # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_3)) THEN ALLOCATE (bounds_3 (2, SIZE(c_bounds_3, 2))) bounds_3 (:, :) = c_bounds_3 (:, :) + 1 END IF # 395 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 397 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (optimize_dist) IF (PRESENT(c_optimize_dist)) THEN ALLOCATE (optimize_dist) optimize_dist = c_optimize_dist END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (move_data) IF (PRESENT(c_move_data)) THEN ALLOCATE (move_data) move_data = c_move_data END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (retain_sparsity) IF (PRESENT(c_retain_sparsity)) THEN ALLOCATE (retain_sparsity) retain_sparsity = c_retain_sparsity END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (log_verbose) IF (PRESENT(c_log_verbose)) THEN ALLOCATE (log_verbose) log_verbose = c_log_verbose END IF # 404 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 406 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 407 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_1) # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_2) # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_3) # 412 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_2) .AND. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_2 = pgrid_opt_2, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_2) .AND. PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_1)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_2 = pgrid_opt_2, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_2)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_2)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_2 = pgrid_opt_2, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_2 = pgrid_opt_2, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 429 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ENDIF # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_1)) c_pgrid_opt_1 = c_loc(pgrid_opt_1) # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_2)) c_pgrid_opt_2 = c_loc(pgrid_opt_2) # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_3)) c_pgrid_opt_3 = c_loc(pgrid_opt_3) # 434 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 436 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(optimize_dist)) DEALLOCATE (optimize_dist) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(move_data)) DEALLOCATE (move_data) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(retain_sparsity)) DEALLOCATE (retain_sparsity) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(log_verbose)) DEALLOCATE (log_verbose) # 439 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_1)) DEALLOCATE (bounds_1) # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_2)) DEALLOCATE (bounds_2) # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_3)) DEALLOCATE (bounds_3) # 443 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_unit_nr)) THEN IF (c_unit_nr .GE. 0) THEN flush (c_unit_nr) END IF END IF END SUBROUTINE SUBROUTINE c_dbcsr_t_contract_index_r_dp (c_alpha, c_tensor_1, & c_tensor_2, c_beta, c_tensor_3, & c_contract_1, contract_1_size, & c_notcontract_1, notcontract_1_size, & c_contract_2, contract_2_size, & c_notcontract_2, notcontract_2_size, & c_map_1, map_1_size, c_map_2, map_2_size, & c_bounds_1, c_bounds_2, c_bounds_3, & c_filter_eps, c_nblks_local, c_result_index, & result_index_size, tensor3_dim) & BIND(C, name="c_dbcsr_t_contract_index_r_dp") REAL (kind=c_double), INTENT(IN), VALUE :: c_alpha TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_1, c_tensor_2 REAL (kind=c_double), INTENT(IN), VALUE :: c_beta TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: contract_1_size, contract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: notcontract_1_size, notcontract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: map_1_size, map_2_size INTEGER(kind=c_int), INTENT(IN) :: c_contract_1(contract_1_size), c_contract_2(contract_2_size) INTEGER(kind=c_int), INTENT(IN) :: c_map_1(map_1_size), c_map_2(map_2_size) INTEGER(kind=c_int), INTENT(IN) :: c_notcontract_1(notcontract_1_size), c_notcontract_2(notcontract_2_size) INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, contract_1_size), & OPTIONAL :: c_bounds_1 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_1_size), & OPTIONAL :: c_bounds_2 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_2_size), & OPTIONAL :: c_bounds_3 REAL(kind=c_double), INTENT(IN), OPTIONAL :: c_filter_eps INTEGER(kind=c_int), INTENT(OUT) :: c_nblks_local INTEGER(kind=c_long_long), INTENT(IN), VALUE :: result_index_size INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor3_dim INTEGER(kind=c_int), DIMENSION(result_index_size, tensor3_dim), & INTENT(OUT) :: c_result_index TYPE(dbcsr_t_type), POINTER :: tensor_1 TYPE(dbcsr_t_type), POINTER :: tensor_2 TYPE(dbcsr_t_type), POINTER :: tensor_3 INTEGER, DIMENSION(:, :), POINTER :: bounds_1, bounds_2, bounds_3 INTEGER, DIMENSION(result_index_size, tensor3_dim) :: result_index CALL c_f_pointer(c_tensor_1, tensor_1) CALL c_f_pointer(c_tensor_2, tensor_2) CALL c_f_pointer(c_tensor_3, tensor_3) # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_1) IF (PRESENT(c_bounds_1)) THEN ALLOCATE (bounds_1 (2, SIZE(c_bounds_1, 2))) bounds_1 = c_bounds_1+1 END IF # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_2) IF (PRESENT(c_bounds_2)) THEN ALLOCATE (bounds_2 (2, SIZE(c_bounds_2, 2))) bounds_2 = c_bounds_2+1 END IF # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_3) IF (PRESENT(c_bounds_3)) THEN ALLOCATE (bounds_3 (2, SIZE(c_bounds_3, 2))) bounds_3 = c_bounds_3+1 END IF # 508 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" CALL dbcsr_t_contract_index(dbcsr_scalar(c_alpha), tensor_1, & tensor_2, dbcsr_scalar(c_beta), tensor_3, & c_contract_1 + 1, c_notcontract_1 + 1, & c_contract_2 + 1, c_notcontract_2 + 1, & c_map_1 + 1, c_map_2 + 1, & bounds_1, bounds_2, bounds_3, & c_filter_eps, c_nblks_local, result_index) c_result_index = result_index - 1 # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_1)) DEALLOCATE (bounds_1) # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_2)) DEALLOCATE (bounds_2) # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_3)) DEALLOCATE (bounds_3) # 522 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" END SUBROUTINE # 330 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_contract_r_sp (c_alpha, c_tensor_1, c_tensor_2, c_beta, c_tensor_3, & c_contract_1, contract_1_size, & c_notcontract_1, notcontract_1_size, & c_contract_2, contract_2_size, & c_notcontract_2, notcontract_2_size, & c_map_1, map_1_size, c_map_2, map_2_size, & c_bounds_1, c_bounds_2, c_bounds_3, & c_optimize_dist, c_pgrid_opt_1, c_pgrid_opt_2, c_pgrid_opt_3, & c_filter_eps, c_flop, c_move_data, c_retain_sparsity, & c_unit_nr, c_log_verbose) & BIND(C, name="c_dbcsr_t_contract_r_sp") REAL (kind=c_float), INTENT(IN), VALUE :: c_alpha TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_1, c_tensor_2 REAL (kind=c_float), INTENT(IN), VALUE :: c_beta TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: contract_1_size, contract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: notcontract_1_size, notcontract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: map_1_size, map_2_size INTEGER(kind=c_int), INTENT(IN), TARGET :: c_contract_1(contract_1_size), c_contract_2(contract_2_size) INTEGER(kind=c_int), INTENT(IN), TARGET :: c_map_1(map_1_size), c_map_2(map_2_size) INTEGER(kind=c_int), INTENT(IN), TARGET :: c_notcontract_1(notcontract_1_size), c_notcontract_2(notcontract_2_size) INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, contract_1_size), & OPTIONAL :: c_bounds_1 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_1_size), & OPTIONAL :: c_bounds_2 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_2_size), & OPTIONAL :: c_bounds_3 LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_optimize_dist TYPE(c_ptr), INTENT(OUT), OPTIONAL :: c_pgrid_opt_1, c_pgrid_opt_2, c_pgrid_opt_3 REAL(kind=c_double), INTENT(IN), OPTIONAL :: c_filter_eps INTEGER(kind=c_long_long), INTENT(INOUT), OPTIONAL :: c_flop LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_move_data LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_retain_sparsity INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_unit_nr LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_log_verbose TYPE(dbcsr_t_type), POINTER :: tensor_1 TYPE(dbcsr_t_type), POINTER :: tensor_2 TYPE(dbcsr_t_type), POINTER :: tensor_3 LOGICAL, POINTER :: optimize_dist TYPE(dbcsr_t_pgrid_type), POINTER :: pgrid_opt_1, pgrid_opt_2, pgrid_opt_3 INTEGER, DIMENSION(:, :), ALLOCATABLE :: bounds_1, bounds_2, bounds_3 LOGICAL, POINTER :: move_data LOGICAL, POINTER :: retain_sparsity LOGICAL, POINTER :: log_verbose CALL c_f_pointer(c_tensor_1, tensor_1) CALL c_f_pointer(c_tensor_2, tensor_2) CALL c_f_pointer(c_tensor_3, tensor_3) # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_1)) THEN ALLOCATE (bounds_1 (2, SIZE(c_bounds_1, 2))) bounds_1 (:, :) = c_bounds_1 (:, :) + 1 END IF # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_2)) THEN ALLOCATE (bounds_2 (2, SIZE(c_bounds_2, 2))) bounds_2 (:, :) = c_bounds_2 (:, :) + 1 END IF # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_3)) THEN ALLOCATE (bounds_3 (2, SIZE(c_bounds_3, 2))) bounds_3 (:, :) = c_bounds_3 (:, :) + 1 END IF # 395 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 397 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (optimize_dist) IF (PRESENT(c_optimize_dist)) THEN ALLOCATE (optimize_dist) optimize_dist = c_optimize_dist END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (move_data) IF (PRESENT(c_move_data)) THEN ALLOCATE (move_data) move_data = c_move_data END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (retain_sparsity) IF (PRESENT(c_retain_sparsity)) THEN ALLOCATE (retain_sparsity) retain_sparsity = c_retain_sparsity END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (log_verbose) IF (PRESENT(c_log_verbose)) THEN ALLOCATE (log_verbose) log_verbose = c_log_verbose END IF # 404 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 406 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 407 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_1) # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_2) # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_3) # 412 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_2) .AND. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_2 = pgrid_opt_2, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_2) .AND. PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_1)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_2 = pgrid_opt_2, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_2)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_2)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_2 = pgrid_opt_2, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_2 = pgrid_opt_2, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 429 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ENDIF # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_1)) c_pgrid_opt_1 = c_loc(pgrid_opt_1) # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_2)) c_pgrid_opt_2 = c_loc(pgrid_opt_2) # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_3)) c_pgrid_opt_3 = c_loc(pgrid_opt_3) # 434 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 436 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(optimize_dist)) DEALLOCATE (optimize_dist) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(move_data)) DEALLOCATE (move_data) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(retain_sparsity)) DEALLOCATE (retain_sparsity) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(log_verbose)) DEALLOCATE (log_verbose) # 439 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_1)) DEALLOCATE (bounds_1) # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_2)) DEALLOCATE (bounds_2) # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_3)) DEALLOCATE (bounds_3) # 443 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_unit_nr)) THEN IF (c_unit_nr .GE. 0) THEN flush (c_unit_nr) END IF END IF END SUBROUTINE SUBROUTINE c_dbcsr_t_contract_index_r_sp (c_alpha, c_tensor_1, & c_tensor_2, c_beta, c_tensor_3, & c_contract_1, contract_1_size, & c_notcontract_1, notcontract_1_size, & c_contract_2, contract_2_size, & c_notcontract_2, notcontract_2_size, & c_map_1, map_1_size, c_map_2, map_2_size, & c_bounds_1, c_bounds_2, c_bounds_3, & c_filter_eps, c_nblks_local, c_result_index, & result_index_size, tensor3_dim) & BIND(C, name="c_dbcsr_t_contract_index_r_sp") REAL (kind=c_float), INTENT(IN), VALUE :: c_alpha TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_1, c_tensor_2 REAL (kind=c_float), INTENT(IN), VALUE :: c_beta TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: contract_1_size, contract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: notcontract_1_size, notcontract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: map_1_size, map_2_size INTEGER(kind=c_int), INTENT(IN) :: c_contract_1(contract_1_size), c_contract_2(contract_2_size) INTEGER(kind=c_int), INTENT(IN) :: c_map_1(map_1_size), c_map_2(map_2_size) INTEGER(kind=c_int), INTENT(IN) :: c_notcontract_1(notcontract_1_size), c_notcontract_2(notcontract_2_size) INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, contract_1_size), & OPTIONAL :: c_bounds_1 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_1_size), & OPTIONAL :: c_bounds_2 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_2_size), & OPTIONAL :: c_bounds_3 REAL(kind=c_double), INTENT(IN), OPTIONAL :: c_filter_eps INTEGER(kind=c_int), INTENT(OUT) :: c_nblks_local INTEGER(kind=c_long_long), INTENT(IN), VALUE :: result_index_size INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor3_dim INTEGER(kind=c_int), DIMENSION(result_index_size, tensor3_dim), & INTENT(OUT) :: c_result_index TYPE(dbcsr_t_type), POINTER :: tensor_1 TYPE(dbcsr_t_type), POINTER :: tensor_2 TYPE(dbcsr_t_type), POINTER :: tensor_3 INTEGER, DIMENSION(:, :), POINTER :: bounds_1, bounds_2, bounds_3 INTEGER, DIMENSION(result_index_size, tensor3_dim) :: result_index CALL c_f_pointer(c_tensor_1, tensor_1) CALL c_f_pointer(c_tensor_2, tensor_2) CALL c_f_pointer(c_tensor_3, tensor_3) # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_1) IF (PRESENT(c_bounds_1)) THEN ALLOCATE (bounds_1 (2, SIZE(c_bounds_1, 2))) bounds_1 = c_bounds_1+1 END IF # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_2) IF (PRESENT(c_bounds_2)) THEN ALLOCATE (bounds_2 (2, SIZE(c_bounds_2, 2))) bounds_2 = c_bounds_2+1 END IF # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_3) IF (PRESENT(c_bounds_3)) THEN ALLOCATE (bounds_3 (2, SIZE(c_bounds_3, 2))) bounds_3 = c_bounds_3+1 END IF # 508 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" CALL dbcsr_t_contract_index(dbcsr_scalar(c_alpha), tensor_1, & tensor_2, dbcsr_scalar(c_beta), tensor_3, & c_contract_1 + 1, c_notcontract_1 + 1, & c_contract_2 + 1, c_notcontract_2 + 1, & c_map_1 + 1, c_map_2 + 1, & bounds_1, bounds_2, bounds_3, & c_filter_eps, c_nblks_local, result_index) c_result_index = result_index - 1 # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_1)) DEALLOCATE (bounds_1) # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_2)) DEALLOCATE (bounds_2) # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_3)) DEALLOCATE (bounds_3) # 522 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" END SUBROUTINE # 330 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_contract_c_dp (c_alpha, c_tensor_1, c_tensor_2, c_beta, c_tensor_3, & c_contract_1, contract_1_size, & c_notcontract_1, notcontract_1_size, & c_contract_2, contract_2_size, & c_notcontract_2, notcontract_2_size, & c_map_1, map_1_size, c_map_2, map_2_size, & c_bounds_1, c_bounds_2, c_bounds_3, & c_optimize_dist, c_pgrid_opt_1, c_pgrid_opt_2, c_pgrid_opt_3, & c_filter_eps, c_flop, c_move_data, c_retain_sparsity, & c_unit_nr, c_log_verbose) & BIND(C, name="c_dbcsr_t_contract_c_dp") COMPLEX (kind=c_double_complex), INTENT(IN), VALUE :: c_alpha TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_1, c_tensor_2 COMPLEX (kind=c_double_complex), INTENT(IN), VALUE :: c_beta TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: contract_1_size, contract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: notcontract_1_size, notcontract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: map_1_size, map_2_size INTEGER(kind=c_int), INTENT(IN), TARGET :: c_contract_1(contract_1_size), c_contract_2(contract_2_size) INTEGER(kind=c_int), INTENT(IN), TARGET :: c_map_1(map_1_size), c_map_2(map_2_size) INTEGER(kind=c_int), INTENT(IN), TARGET :: c_notcontract_1(notcontract_1_size), c_notcontract_2(notcontract_2_size) INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, contract_1_size), & OPTIONAL :: c_bounds_1 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_1_size), & OPTIONAL :: c_bounds_2 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_2_size), & OPTIONAL :: c_bounds_3 LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_optimize_dist TYPE(c_ptr), INTENT(OUT), OPTIONAL :: c_pgrid_opt_1, c_pgrid_opt_2, c_pgrid_opt_3 REAL(kind=c_double), INTENT(IN), OPTIONAL :: c_filter_eps INTEGER(kind=c_long_long), INTENT(INOUT), OPTIONAL :: c_flop LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_move_data LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_retain_sparsity INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_unit_nr LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_log_verbose TYPE(dbcsr_t_type), POINTER :: tensor_1 TYPE(dbcsr_t_type), POINTER :: tensor_2 TYPE(dbcsr_t_type), POINTER :: tensor_3 LOGICAL, POINTER :: optimize_dist TYPE(dbcsr_t_pgrid_type), POINTER :: pgrid_opt_1, pgrid_opt_2, pgrid_opt_3 INTEGER, DIMENSION(:, :), ALLOCATABLE :: bounds_1, bounds_2, bounds_3 LOGICAL, POINTER :: move_data LOGICAL, POINTER :: retain_sparsity LOGICAL, POINTER :: log_verbose CALL c_f_pointer(c_tensor_1, tensor_1) CALL c_f_pointer(c_tensor_2, tensor_2) CALL c_f_pointer(c_tensor_3, tensor_3) # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_1)) THEN ALLOCATE (bounds_1 (2, SIZE(c_bounds_1, 2))) bounds_1 (:, :) = c_bounds_1 (:, :) + 1 END IF # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_2)) THEN ALLOCATE (bounds_2 (2, SIZE(c_bounds_2, 2))) bounds_2 (:, :) = c_bounds_2 (:, :) + 1 END IF # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_3)) THEN ALLOCATE (bounds_3 (2, SIZE(c_bounds_3, 2))) bounds_3 (:, :) = c_bounds_3 (:, :) + 1 END IF # 395 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 397 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (optimize_dist) IF (PRESENT(c_optimize_dist)) THEN ALLOCATE (optimize_dist) optimize_dist = c_optimize_dist END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (move_data) IF (PRESENT(c_move_data)) THEN ALLOCATE (move_data) move_data = c_move_data END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (retain_sparsity) IF (PRESENT(c_retain_sparsity)) THEN ALLOCATE (retain_sparsity) retain_sparsity = c_retain_sparsity END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (log_verbose) IF (PRESENT(c_log_verbose)) THEN ALLOCATE (log_verbose) log_verbose = c_log_verbose END IF # 404 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 406 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 407 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_1) # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_2) # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_3) # 412 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_2) .AND. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_2 = pgrid_opt_2, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_2) .AND. PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_1)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_2 = pgrid_opt_2, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_2)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_2)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_2 = pgrid_opt_2, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_2 = pgrid_opt_2, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 429 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ENDIF # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_1)) c_pgrid_opt_1 = c_loc(pgrid_opt_1) # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_2)) c_pgrid_opt_2 = c_loc(pgrid_opt_2) # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_3)) c_pgrid_opt_3 = c_loc(pgrid_opt_3) # 434 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 436 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(optimize_dist)) DEALLOCATE (optimize_dist) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(move_data)) DEALLOCATE (move_data) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(retain_sparsity)) DEALLOCATE (retain_sparsity) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(log_verbose)) DEALLOCATE (log_verbose) # 439 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_1)) DEALLOCATE (bounds_1) # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_2)) DEALLOCATE (bounds_2) # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_3)) DEALLOCATE (bounds_3) # 443 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_unit_nr)) THEN IF (c_unit_nr .GE. 0) THEN flush (c_unit_nr) END IF END IF END SUBROUTINE SUBROUTINE c_dbcsr_t_contract_index_c_dp (c_alpha, c_tensor_1, & c_tensor_2, c_beta, c_tensor_3, & c_contract_1, contract_1_size, & c_notcontract_1, notcontract_1_size, & c_contract_2, contract_2_size, & c_notcontract_2, notcontract_2_size, & c_map_1, map_1_size, c_map_2, map_2_size, & c_bounds_1, c_bounds_2, c_bounds_3, & c_filter_eps, c_nblks_local, c_result_index, & result_index_size, tensor3_dim) & BIND(C, name="c_dbcsr_t_contract_index_c_dp") COMPLEX (kind=c_double_complex), INTENT(IN), VALUE :: c_alpha TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_1, c_tensor_2 COMPLEX (kind=c_double_complex), INTENT(IN), VALUE :: c_beta TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: contract_1_size, contract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: notcontract_1_size, notcontract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: map_1_size, map_2_size INTEGER(kind=c_int), INTENT(IN) :: c_contract_1(contract_1_size), c_contract_2(contract_2_size) INTEGER(kind=c_int), INTENT(IN) :: c_map_1(map_1_size), c_map_2(map_2_size) INTEGER(kind=c_int), INTENT(IN) :: c_notcontract_1(notcontract_1_size), c_notcontract_2(notcontract_2_size) INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, contract_1_size), & OPTIONAL :: c_bounds_1 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_1_size), & OPTIONAL :: c_bounds_2 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_2_size), & OPTIONAL :: c_bounds_3 REAL(kind=c_double), INTENT(IN), OPTIONAL :: c_filter_eps INTEGER(kind=c_int), INTENT(OUT) :: c_nblks_local INTEGER(kind=c_long_long), INTENT(IN), VALUE :: result_index_size INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor3_dim INTEGER(kind=c_int), DIMENSION(result_index_size, tensor3_dim), & INTENT(OUT) :: c_result_index TYPE(dbcsr_t_type), POINTER :: tensor_1 TYPE(dbcsr_t_type), POINTER :: tensor_2 TYPE(dbcsr_t_type), POINTER :: tensor_3 INTEGER, DIMENSION(:, :), POINTER :: bounds_1, bounds_2, bounds_3 INTEGER, DIMENSION(result_index_size, tensor3_dim) :: result_index CALL c_f_pointer(c_tensor_1, tensor_1) CALL c_f_pointer(c_tensor_2, tensor_2) CALL c_f_pointer(c_tensor_3, tensor_3) # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_1) IF (PRESENT(c_bounds_1)) THEN ALLOCATE (bounds_1 (2, SIZE(c_bounds_1, 2))) bounds_1 = c_bounds_1+1 END IF # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_2) IF (PRESENT(c_bounds_2)) THEN ALLOCATE (bounds_2 (2, SIZE(c_bounds_2, 2))) bounds_2 = c_bounds_2+1 END IF # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_3) IF (PRESENT(c_bounds_3)) THEN ALLOCATE (bounds_3 (2, SIZE(c_bounds_3, 2))) bounds_3 = c_bounds_3+1 END IF # 508 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" CALL dbcsr_t_contract_index(dbcsr_scalar(c_alpha), tensor_1, & tensor_2, dbcsr_scalar(c_beta), tensor_3, & c_contract_1 + 1, c_notcontract_1 + 1, & c_contract_2 + 1, c_notcontract_2 + 1, & c_map_1 + 1, c_map_2 + 1, & bounds_1, bounds_2, bounds_3, & c_filter_eps, c_nblks_local, result_index) c_result_index = result_index - 1 # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_1)) DEALLOCATE (bounds_1) # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_2)) DEALLOCATE (bounds_2) # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_3)) DEALLOCATE (bounds_3) # 522 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" END SUBROUTINE # 330 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_contract_c_sp (c_alpha, c_tensor_1, c_tensor_2, c_beta, c_tensor_3, & c_contract_1, contract_1_size, & c_notcontract_1, notcontract_1_size, & c_contract_2, contract_2_size, & c_notcontract_2, notcontract_2_size, & c_map_1, map_1_size, c_map_2, map_2_size, & c_bounds_1, c_bounds_2, c_bounds_3, & c_optimize_dist, c_pgrid_opt_1, c_pgrid_opt_2, c_pgrid_opt_3, & c_filter_eps, c_flop, c_move_data, c_retain_sparsity, & c_unit_nr, c_log_verbose) & BIND(C, name="c_dbcsr_t_contract_c_sp") COMPLEX (kind=c_float_complex), INTENT(IN), VALUE :: c_alpha TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_1, c_tensor_2 COMPLEX (kind=c_float_complex), INTENT(IN), VALUE :: c_beta TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: contract_1_size, contract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: notcontract_1_size, notcontract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: map_1_size, map_2_size INTEGER(kind=c_int), INTENT(IN), TARGET :: c_contract_1(contract_1_size), c_contract_2(contract_2_size) INTEGER(kind=c_int), INTENT(IN), TARGET :: c_map_1(map_1_size), c_map_2(map_2_size) INTEGER(kind=c_int), INTENT(IN), TARGET :: c_notcontract_1(notcontract_1_size), c_notcontract_2(notcontract_2_size) INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, contract_1_size), & OPTIONAL :: c_bounds_1 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_1_size), & OPTIONAL :: c_bounds_2 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_2_size), & OPTIONAL :: c_bounds_3 LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_optimize_dist TYPE(c_ptr), INTENT(OUT), OPTIONAL :: c_pgrid_opt_1, c_pgrid_opt_2, c_pgrid_opt_3 REAL(kind=c_double), INTENT(IN), OPTIONAL :: c_filter_eps INTEGER(kind=c_long_long), INTENT(INOUT), OPTIONAL :: c_flop LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_move_data LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_retain_sparsity INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_unit_nr LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_log_verbose TYPE(dbcsr_t_type), POINTER :: tensor_1 TYPE(dbcsr_t_type), POINTER :: tensor_2 TYPE(dbcsr_t_type), POINTER :: tensor_3 LOGICAL, POINTER :: optimize_dist TYPE(dbcsr_t_pgrid_type), POINTER :: pgrid_opt_1, pgrid_opt_2, pgrid_opt_3 INTEGER, DIMENSION(:, :), ALLOCATABLE :: bounds_1, bounds_2, bounds_3 LOGICAL, POINTER :: move_data LOGICAL, POINTER :: retain_sparsity LOGICAL, POINTER :: log_verbose CALL c_f_pointer(c_tensor_1, tensor_1) CALL c_f_pointer(c_tensor_2, tensor_2) CALL c_f_pointer(c_tensor_3, tensor_3) # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_1)) THEN ALLOCATE (bounds_1 (2, SIZE(c_bounds_1, 2))) bounds_1 (:, :) = c_bounds_1 (:, :) + 1 END IF # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_2)) THEN ALLOCATE (bounds_2 (2, SIZE(c_bounds_2, 2))) bounds_2 (:, :) = c_bounds_2 (:, :) + 1 END IF # 390 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_bounds_3)) THEN ALLOCATE (bounds_3 (2, SIZE(c_bounds_3, 2))) bounds_3 (:, :) = c_bounds_3 (:, :) + 1 END IF # 395 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 397 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (optimize_dist) IF (PRESENT(c_optimize_dist)) THEN ALLOCATE (optimize_dist) optimize_dist = c_optimize_dist END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (move_data) IF (PRESENT(c_move_data)) THEN ALLOCATE (move_data) move_data = c_move_data END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (retain_sparsity) IF (PRESENT(c_retain_sparsity)) THEN ALLOCATE (retain_sparsity) retain_sparsity = c_retain_sparsity END IF # 398 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (log_verbose) IF (PRESENT(c_log_verbose)) THEN ALLOCATE (log_verbose) log_verbose = c_log_verbose END IF # 404 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 406 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 407 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_1) # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_2) # 410 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (pgrid_opt_3) # 412 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_2) .AND. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_2 = pgrid_opt_2, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_2) .AND. PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_1)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_2 = pgrid_opt_2, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_2)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_3) .AND. .NOT. PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_2)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_3 = pgrid_opt_3, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, pgrid_opt_2 = pgrid_opt_2, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_2 = pgrid_opt_2, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE IF(PRESENT(c_pgrid_opt_1) .AND. .NOT. PRESENT(c_pgrid_opt_2) .AND. .NOT. PRESENT(c_pgrid_opt_3)) THEN CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , pgrid_opt_1 = pgrid_opt_1, & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 414 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ELSE CALL dbcsr_t_contract(alpha=dbcsr_scalar(c_alpha), tensor_1=tensor_1, & tensor_2=tensor_2, beta=dbcsr_scalar(c_beta), & tensor_3=tensor_3, contract_1=c_contract_1 + 1, & notcontract_1=c_notcontract_1 + 1, & contract_2=c_contract_2 + 1, notcontract_2=c_notcontract_2 + 1, & map_1=c_map_1 + 1, map_2=c_map_2 + 1, & bounds_1=bounds_1, bounds_2=bounds_2, bounds_3=bounds_3, & optimize_dist=optimize_dist & , & filter_eps=c_filter_eps, flop=c_flop, move_data=move_data, & retain_sparsity=retain_sparsity, unit_nr=c_unit_nr, & log_verbose=log_verbose) # 429 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" ENDIF # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_1)) c_pgrid_opt_1 = c_loc(pgrid_opt_1) # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_2)) c_pgrid_opt_2 = c_loc(pgrid_opt_2) # 432 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_pgrid_opt_3)) c_pgrid_opt_3 = c_loc(pgrid_opt_3) # 434 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 436 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(optimize_dist)) DEALLOCATE (optimize_dist) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(move_data)) DEALLOCATE (move_data) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(retain_sparsity)) DEALLOCATE (retain_sparsity) # 437 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(log_verbose)) DEALLOCATE (log_verbose) # 439 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_1)) DEALLOCATE (bounds_1) # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_2)) DEALLOCATE (bounds_2) # 441 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ALLOCATED(bounds_3)) DEALLOCATE (bounds_3) # 443 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_unit_nr)) THEN IF (c_unit_nr .GE. 0) THEN flush (c_unit_nr) END IF END IF END SUBROUTINE SUBROUTINE c_dbcsr_t_contract_index_c_sp (c_alpha, c_tensor_1, & c_tensor_2, c_beta, c_tensor_3, & c_contract_1, contract_1_size, & c_notcontract_1, notcontract_1_size, & c_contract_2, contract_2_size, & c_notcontract_2, notcontract_2_size, & c_map_1, map_1_size, c_map_2, map_2_size, & c_bounds_1, c_bounds_2, c_bounds_3, & c_filter_eps, c_nblks_local, c_result_index, & result_index_size, tensor3_dim) & BIND(C, name="c_dbcsr_t_contract_index_c_sp") COMPLEX (kind=c_float_complex), INTENT(IN), VALUE :: c_alpha TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_1, c_tensor_2 COMPLEX (kind=c_float_complex), INTENT(IN), VALUE :: c_beta TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: contract_1_size, contract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: notcontract_1_size, notcontract_2_size INTEGER(kind=c_int), INTENT(IN), VALUE :: map_1_size, map_2_size INTEGER(kind=c_int), INTENT(IN) :: c_contract_1(contract_1_size), c_contract_2(contract_2_size) INTEGER(kind=c_int), INTENT(IN) :: c_map_1(map_1_size), c_map_2(map_2_size) INTEGER(kind=c_int), INTENT(IN) :: c_notcontract_1(notcontract_1_size), c_notcontract_2(notcontract_2_size) INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, contract_1_size), & OPTIONAL :: c_bounds_1 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_1_size), & OPTIONAL :: c_bounds_2 INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, notcontract_2_size), & OPTIONAL :: c_bounds_3 REAL(kind=c_double), INTENT(IN), OPTIONAL :: c_filter_eps INTEGER(kind=c_int), INTENT(OUT) :: c_nblks_local INTEGER(kind=c_long_long), INTENT(IN), VALUE :: result_index_size INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor3_dim INTEGER(kind=c_int), DIMENSION(result_index_size, tensor3_dim), & INTENT(OUT) :: c_result_index TYPE(dbcsr_t_type), POINTER :: tensor_1 TYPE(dbcsr_t_type), POINTER :: tensor_2 TYPE(dbcsr_t_type), POINTER :: tensor_3 INTEGER, DIMENSION(:, :), POINTER :: bounds_1, bounds_2, bounds_3 INTEGER, DIMENSION(result_index_size, tensor3_dim) :: result_index CALL c_f_pointer(c_tensor_1, tensor_1) CALL c_f_pointer(c_tensor_2, tensor_2) CALL c_f_pointer(c_tensor_3, tensor_3) # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_1) IF (PRESENT(c_bounds_1)) THEN ALLOCATE (bounds_1 (2, SIZE(c_bounds_1, 2))) bounds_1 = c_bounds_1+1 END IF # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_2) IF (PRESENT(c_bounds_2)) THEN ALLOCATE (bounds_2 (2, SIZE(c_bounds_2, 2))) bounds_2 = c_bounds_2+1 END IF # 502 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (bounds_3) IF (PRESENT(c_bounds_3)) THEN ALLOCATE (bounds_3 (2, SIZE(c_bounds_3, 2))) bounds_3 = c_bounds_3+1 END IF # 508 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" CALL dbcsr_t_contract_index(dbcsr_scalar(c_alpha), tensor_1, & tensor_2, dbcsr_scalar(c_beta), tensor_3, & c_contract_1 + 1, c_notcontract_1 + 1, & c_contract_2 + 1, c_notcontract_2 + 1, & c_map_1 + 1, c_map_2 + 1, & bounds_1, bounds_2, bounds_3, & c_filter_eps, c_nblks_local, result_index) c_result_index = result_index - 1 # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_1)) DEALLOCATE (bounds_1) # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_2)) DEALLOCATE (bounds_2) # 520 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds_3)) DEALLOCATE (bounds_3) # 522 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" END SUBROUTINE # 526 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 528 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_2d_block_r_dp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_2d_block_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_double), & DIMENSION(c_sizes(1), c_sizes(2)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_3d_block_r_dp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_3d_block_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_double), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_4d_block_r_dp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_4d_block_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_double), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3), c_sizes(4)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 554 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 528 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_2d_block_r_sp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_2d_block_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_float), & DIMENSION(c_sizes(1), c_sizes(2)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_3d_block_r_sp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_3d_block_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_float), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_4d_block_r_sp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_4d_block_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_float), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3), c_sizes(4)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 554 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 528 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_2d_block_c_dp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_2d_block_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_double_complex), & DIMENSION(c_sizes(1), c_sizes(2)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_3d_block_c_dp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_3d_block_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_double_complex), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_4d_block_c_dp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_4d_block_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_double_complex), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3), c_sizes(4)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 554 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 528 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_2d_block_c_sp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_2d_block_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_float_complex), & DIMENSION(c_sizes(1), c_sizes(2)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_3d_block_c_sp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_3d_block_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_float_complex), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 529 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_4d_block_c_sp (c_tensor, tensor_dim, c_ind, c_sizes, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_4d_block_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_float_complex), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3), c_sizes(4)), & INTENT(OUT) :: c_block LOGICAL(kind=c_bool), INTENT(OUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: found CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_block(tensor, c_ind + 1, c_sizes, c_block, found) c_found = LOGICAL(found, kind=c_bool) END SUBROUTINE # 554 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 555 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 557 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_2d_block_r_dp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_2d_block_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_double), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation REAL (kind=c_double), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_3d_block_r_dp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_3d_block_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_double), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation REAL (kind=c_double), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_4d_block_r_dp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_4d_block_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_double), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3), c_sizes(4)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation REAL (kind=c_double), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 591 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 557 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_2d_block_r_sp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_2d_block_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_float), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation REAL (kind=c_float), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_3d_block_r_sp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_3d_block_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_float), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation REAL (kind=c_float), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_4d_block_r_sp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_4d_block_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes REAL (kind=c_float), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3), c_sizes(4)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation REAL (kind=c_float), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 591 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 557 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_2d_block_c_dp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_2d_block_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_double_complex), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation COMPLEX (kind=c_double_complex), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_3d_block_c_dp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_3d_block_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_double_complex), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation COMPLEX (kind=c_double_complex), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_4d_block_c_dp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_4d_block_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_double_complex), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3), c_sizes(4)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation COMPLEX (kind=c_double_complex), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 591 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 557 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_2d_block_c_sp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_2d_block_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_float_complex), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation COMPLEX (kind=c_float_complex), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_3d_block_c_sp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_3d_block_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_float_complex), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation COMPLEX (kind=c_float_complex), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 558 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_put_4d_block_c_sp (c_tensor, tensor_dim, c_ind, c_sizes, & c_block, c_summation, c_scale) & BIND(C, name="c_dbcsr_t_put_4d_block_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_sizes COMPLEX (kind=c_float_complex), INTENT(IN), & DIMENSION(c_sizes(1), c_sizes(2), c_sizes(3), c_sizes(4)) :: c_block LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation COMPLEX (kind=c_float_complex), INTENT(IN), & OPTIONAL :: c_scale TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: summation CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, summation, c_scale) ELSE CALL dbcsr_t_put_block(tensor, c_ind + 1, c_sizes, & c_block, scale=c_scale) END IF END SUBROUTINE # 591 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 592 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 594 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_2d_block_p_r_dp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_2d_block_p_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(2) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(2) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d REAL(kind=real_8), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_3d_block_p_r_dp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_3d_block_p_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(3) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(3) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d REAL(kind=real_8), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_4d_block_p_r_dp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_4d_block_p_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(4) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(4) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d REAL(kind=real_8), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 624 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 594 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_2d_block_p_r_sp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_2d_block_p_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(2) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(2) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d REAL(kind=real_4), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_3d_block_p_r_sp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_3d_block_p_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(3) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(3) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d REAL(kind=real_4), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_4d_block_p_r_sp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_4d_block_p_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(4) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(4) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d REAL(kind=real_4), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 624 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 594 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_2d_block_p_c_dp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_2d_block_p_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(2) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(2) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d COMPLEX(kind=real_8), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_3d_block_p_c_dp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_3d_block_p_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(3) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(3) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d COMPLEX(kind=real_8), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_4d_block_p_c_dp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_4d_block_p_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(4) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(4) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d COMPLEX(kind=real_8), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 624 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 594 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_2d_block_p_c_sp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_2d_block_p_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(2) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(2) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d COMPLEX(kind=real_4), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_3d_block_p_c_sp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_3d_block_p_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(3) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(3) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d COMPLEX(kind=real_4), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 595 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_4d_block_p_c_sp (c_tensor, c_ind, c_block, c_found) & BIND(C, name="c_dbcsr_t_get_4d_block_p_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN) :: c_ind(4) TYPE(c_ptr), INTENT(INOUT) :: c_block LOGICAL(kind=c_bool), INTENT(INOUT) :: c_found TYPE(dbcsr_t_type), POINTER :: tensor INTEGER, DIMENSION(4) :: ind LOGICAL :: found, tr INTEGER(KIND=int_8), DIMENSION(2) :: ind_2d COMPLEX(kind=real_4), DIMENSION(:, :), POINTER, CONTIGUOUS :: block_2d_ptr CALL c_f_pointer(c_tensor, tensor) ind = c_ind + 1 NULLIFY (block_2d_ptr) ind_2d(:) = get_2d_indices_tensor(tensor%nd_index_blk, ind) CALL dbcsr_tas_get_block_p(tensor%matrix_rep, ind_2d(1), ind_2d(2), block_2d_ptr, tr, found) c_found = found c_block = c_loc(block_2d_ptr) END SUBROUTINE # 624 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 625 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_stored_coordinates(c_tensor, tensor_dim, c_ind_nd, c_processor) & BIND(C, name="c_dbcsr_t_get_stored_coordinates") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(IN) :: c_ind_nd INTEGER(kind=c_int), INTENT(OUT) :: c_processor TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_get_stored_coordinates(tensor, c_ind_nd + 1, c_processor) END SUBROUTINE SUBROUTINE c_dbcsr_t_reserve_blocks_index(c_tensor, nblocks, c_blk_ind_1, c_blk_ind_2, c_blk_ind_3, c_blk_ind_4) & BIND(C, name="c_dbcsr_t_reserve_blocks_index") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(in), value :: nblocks INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_blk_ind_1(nblocks), c_blk_ind_2(nblocks), c_blk_ind_3(nblocks),& # 648 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" & c_blk_ind_4(nblocks) INTEGER, DIMENSION(:), POINTER :: blk_ind_1, blk_ind_2, blk_ind_3, blk_ind_4 TYPE(dbcsr_t_type), POINTER :: tensor # 654 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (blk_ind_1) IF (PRESENT(c_blk_ind_1)) THEN ALLOCATE (blk_ind_1 (nblocks)) blk_ind_1 = c_blk_ind_1+1 END IF # 654 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (blk_ind_2) IF (PRESENT(c_blk_ind_2)) THEN ALLOCATE (blk_ind_2 (nblocks)) blk_ind_2 = c_blk_ind_2+1 END IF # 654 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (blk_ind_3) IF (PRESENT(c_blk_ind_3)) THEN ALLOCATE (blk_ind_3 (nblocks)) blk_ind_3 = c_blk_ind_3+1 END IF # 654 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" NULLIFY (blk_ind_4) IF (PRESENT(c_blk_ind_4)) THEN ALLOCATE (blk_ind_4 (nblocks)) blk_ind_4 = c_blk_ind_4+1 END IF # 660 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_reserve_blocks(tensor, blk_ind_1, blk_ind_2, blk_ind_3, blk_ind_4) # 666 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(blk_ind_1)) DEALLOCATE (blk_ind_1) # 666 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(blk_ind_2)) DEALLOCATE (blk_ind_2) # 666 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(blk_ind_3)) DEALLOCATE (blk_ind_3) # 666 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(blk_ind_4)) DEALLOCATE (blk_ind_4) # 668 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" END SUBROUTINE SUBROUTINE c_dbcsr_t_reserve_blocks_template(c_tensor_in, c_tensor_out) & BIND(C, name="c_dbcsr_t_reserve_blocks_template") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_in TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_out TYPE(dbcsr_t_type), POINTER :: tensor_in TYPE(dbcsr_t_type), POINTER :: tensor_out CALL c_f_pointer(c_tensor_in, tensor_in) CALL c_f_pointer(c_tensor_out, tensor_out) CALL dbcsr_t_reserve_blocks(tensor_in, tensor_out) END SUBROUTINE FUNCTION c_ndims_iterator(c_iterator) BIND(C, name="c_ndims_iterator") TYPE(c_ptr), INTENT(IN), VALUE :: c_iterator TYPE(dbcsr_t_iterator_type), POINTER :: iterator INTEGER(kind=c_int) :: c_ndims_iterator CALL c_f_pointer(c_iterator, iterator) c_ndims_iterator = iterator%nd_index%ndim_nd END FUNCTION SUBROUTINE c_dbcsr_t_iterator_start(c_iterator, c_tensor) BIND(C, name="c_dbcsr_t_iterator_start") TYPE(c_ptr), INTENT(OUT) :: c_iterator TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_iterator_type), POINTER :: iterator TYPE(dbcsr_t_type), POINTER :: tensor ALLOCATE (iterator) CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_iterator_start(iterator, tensor) c_iterator = c_loc(iterator) END SUBROUTINE SUBROUTINE c_dbcsr_t_iterator_stop(c_iterator) BIND(C, name="c_dbcsr_t_iterator_stop") TYPE(c_ptr), INTENT(INOUT) :: c_iterator TYPE(dbcsr_t_iterator_type), POINTER :: iterator CALL c_f_pointer(c_iterator, iterator) CALL dbcsr_t_iterator_stop(iterator) IF (ASSOCIATED(iterator)) DEALLOCATE (iterator) c_iterator = c_null_ptr END SUBROUTINE SUBROUTINE c_dbcsr_t_iterator_next_block(c_iterator, iterator_size, c_ind_nd, c_blk, c_blk_p, c_blk_size, c_blk_offset) & BIND(C, name="c_dbcsr_t_iterator_next_block") TYPE(c_ptr), INTENT(IN), VALUE :: c_iterator INTEGER(kind=c_int), INTENT(IN), VALUE :: iterator_size INTEGER(kind=c_int), DIMENSION(iterator_size), TARGET, & INTENT(OUT) :: c_ind_nd INTEGER(kind=c_int), INTENT(OUT) :: c_blk INTEGER(kind=c_int), INTENT(OUT), OPTIONAL :: c_blk_p INTEGER(kind=c_int), DIMENSION(iterator_size), INTENT(OUT), & OPTIONAL :: c_blk_size, c_blk_offset TYPE(dbcsr_t_iterator_type), POINTER :: iterator INTEGER, DIMENSION(iterator_size) :: ind_nd INTEGER, DIMENSION(:), POINTER :: blk_offset CALL c_f_pointer(c_iterator, iterator) NULLIFY (blk_offset) IF (PRESENT(c_blk_offset)) ALLOCATE (blk_offset(iterator_size)) CALL dbcsr_t_iterator_next_block(iterator, ind_nd, c_blk, c_blk_p, c_blk_size, blk_offset) c_ind_nd = ind_nd - 1 IF (PRESENT(c_blk_offset)) THEN c_blk_offset = blk_offset - 1 DEALLOCATE (blk_offset) END IF END SUBROUTINE FUNCTION c_dbcsr_t_iterator_blocks_left(c_iterator) & BIND(C, name="c_dbcsr_t_iterator_blocks_left") TYPE(c_ptr), INTENT(IN), VALUE :: c_iterator TYPE(dbcsr_t_iterator_type), POINTER :: iterator LOGICAL(kind=c_bool) :: c_dbcsr_t_iterator_blocks_left CALL c_f_pointer(c_iterator, iterator) c_dbcsr_t_iterator_blocks_left = LOGICAL(dbcsr_t_iterator_blocks_left(iterator), kind=c_bool) END FUNCTION SUBROUTINE c_dbcsr_t_split_blocks(c_tensor_in, tensor_dim, c_tensor_out, c_block_sizes, c_nodata) & BIND(C, name="c_dbcsr_t_split_blocks") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_in TYPE(c_ptr), INTENT(OUT) :: c_tensor_out INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), INTENT(IN), DIMENSION(tensor_dim) & :: c_block_sizes LOGICAL(kind=c_bool), OPTIONAL :: c_nodata TYPE(dbcsr_t_type), POINTER :: tensor_in TYPE(dbcsr_t_type), POINTER :: tensor_out LOGICAL :: nodata CALL c_f_pointer(c_tensor_in, tensor_in) ALLOCATE (tensor_out) IF (PRESENT(c_nodata)) THEN nodata = c_nodata CALL dbcsr_t_split_blocks(tensor_in, tensor_out, c_block_sizes, nodata) ELSE CALL dbcsr_t_split_blocks(tensor_in, tensor_out, c_block_sizes) END IF c_tensor_out = c_loc(tensor_out) END SUBROUTINE # 802 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_filter_r_dp (c_tensor, c_eps, c_method, c_use_absolute) & BIND(C, name="c_dbcsr_t_filter_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor REAL (kind=c_double), INTENT(IN), VALUE :: c_eps INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_method LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_use_absolute TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: use_absolute CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_use_absolute)) THEN use_absolute = c_use_absolute CALL dbcsr_t_filter(tensor, c_eps, c_method, use_absolute) ELSE CALL dbcsr_t_filter(tensor, c_eps, c_method) END IF END SUBROUTINE # 802 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_filter_r_sp (c_tensor, c_eps, c_method, c_use_absolute) & BIND(C, name="c_dbcsr_t_filter_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor REAL (kind=c_float), INTENT(IN), VALUE :: c_eps INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_method LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_use_absolute TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: use_absolute CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_use_absolute)) THEN use_absolute = c_use_absolute CALL dbcsr_t_filter(tensor, c_eps, c_method, use_absolute) ELSE CALL dbcsr_t_filter(tensor, c_eps, c_method) END IF END SUBROUTINE # 802 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_filter_c_dp (c_tensor, c_eps, c_method, c_use_absolute) & BIND(C, name="c_dbcsr_t_filter_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor COMPLEX (kind=c_double_complex), INTENT(IN), VALUE :: c_eps INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_method LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_use_absolute TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: use_absolute CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_use_absolute)) THEN use_absolute = c_use_absolute CALL dbcsr_t_filter(tensor, c_eps, c_method, use_absolute) ELSE CALL dbcsr_t_filter(tensor, c_eps, c_method) END IF END SUBROUTINE # 802 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_filter_c_sp (c_tensor, c_eps, c_method, c_use_absolute) & BIND(C, name="c_dbcsr_t_filter_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor COMPLEX (kind=c_float_complex), INTENT(IN), VALUE :: c_eps INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_method LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_use_absolute TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: use_absolute CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_use_absolute)) THEN use_absolute = c_use_absolute CALL dbcsr_t_filter(tensor, c_eps, c_method, use_absolute) ELSE CALL dbcsr_t_filter(tensor, c_eps, c_method) END IF END SUBROUTINE # 825 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 827 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_set_r_dp (c_tensor, c_alpha) & BIND(C, name="c_dbcsr_t_set_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor REAL (kind=c_double), INTENT(IN), VALUE :: c_alpha TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_set(tensor, c_alpha) END SUBROUTINE # 827 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_set_r_sp (c_tensor, c_alpha) & BIND(C, name="c_dbcsr_t_set_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor REAL (kind=c_float), INTENT(IN), VALUE :: c_alpha TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_set(tensor, c_alpha) END SUBROUTINE # 827 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_set_c_dp (c_tensor, c_alpha) & BIND(C, name="c_dbcsr_t_set_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor COMPLEX (kind=c_double_complex), INTENT(IN), VALUE :: c_alpha TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_set(tensor, c_alpha) END SUBROUTINE # 827 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_set_c_sp (c_tensor, c_alpha) & BIND(C, name="c_dbcsr_t_set_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor COMPLEX (kind=c_float_complex), INTENT(IN), VALUE :: c_alpha TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_set(tensor, c_alpha) END SUBROUTINE # 842 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_copy_matrix_to_tensor(c_matrix_in, c_tensor_out, c_summation) & BIND(C, name="c_dbcsr_t_copy_matrix_to_tensor") TYPE(c_ptr), INTENT(IN), VALUE :: c_matrix_in TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_out LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation TYPE(dbcsr_type), POINTER :: matrix_in TYPE(dbcsr_t_type), POINTER :: tensor_out LOGICAL :: summation CALL c_f_pointer(c_matrix_in, matrix_in) CALL c_f_pointer(c_tensor_out, tensor_out) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_copy_matrix_to_tensor(matrix_in, tensor_out, summation) ELSE CALL dbcsr_t_copy_matrix_to_tensor(matrix_in, tensor_out) END IF END SUBROUTINE SUBROUTINE c_dbcsr_t_copy_tensor_to_matrix(c_tensor_in, c_matrix_out, c_summation) & BIND(C, name="c_dbcsr_t_copy_tensor_to_matrix") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_in TYPE(c_ptr), INTENT(IN), VALUE :: c_matrix_out LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation TYPE(dbcsr_t_type), POINTER :: tensor_in TYPE(dbcsr_type), POINTER :: matrix_out LOGICAL :: summation CALL c_f_pointer(c_tensor_in, tensor_in) CALL c_f_pointer(c_matrix_out, matrix_out) IF (PRESENT(c_summation)) THEN summation = c_summation CALL dbcsr_t_copy_tensor_to_matrix(tensor_in, matrix_out, summation) ELSE CALL dbcsr_t_copy_tensor_to_matrix(tensor_in, matrix_out) END IF END SUBROUTINE SUBROUTINE c_dbcsr_t_blk_sizes(c_tensor, tensor_dim, c_ind, c_blk_size) & BIND(C, name="c_dbcsr_t_blk_sizes") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), INTENT(IN) :: c_ind INTEGER(kind=c_int), DIMENSION(tensor_dim), INTENT(OUT) :: c_blk_size TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_blk_sizes(tensor, c_ind + 1, c_blk_size) END SUBROUTINE SUBROUTINE c_dbcsr_t_copy(c_tensor_in, tensor_dim, c_tensor_out, c_order, c_summation, c_bounds, c_move_data, c_unit_nr) & BIND(C, name="c_dbcsr_t_copy") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_in TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor_out INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), INTENT(IN), DIMENSION(tensor_dim), & OPTIONAL :: c_order LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL :: c_summation INTEGER(kind=c_int), INTENT(IN), DIMENSION(2, tensor_dim), & OPTIONAL :: c_bounds LOGICAL(kind=c_bool), INTENT(IN), OPTIONAL ::c_move_data INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_unit_nr TYPE(dbcsr_t_type), POINTER :: tensor_in, tensor_out INTEGER, DIMENSION(:), POINTER :: order INTEGER, DIMENSION(:, :), POINTER :: bounds LOGICAL, POINTER :: summation, move_data CALL c_f_pointer(c_tensor_in, tensor_in) CALL c_f_pointer(c_tensor_out, tensor_out) NULLIFY (order) IF (PRESENT(c_order)) THEN ALLOCATE (order(tensor_dim)) order = c_order + 1 END IF NULLIFY (bounds) IF (PRESENT(c_bounds)) THEN ALLOCATE (bounds(2, tensor_dim)) bounds = c_bounds + 1 END IF NULLIFY (summation) IF (PRESENT(c_summation)) THEN ALLOCATE (summation) summation = c_summation END IF NULLIFY (move_data) IF (PRESENT(c_move_data)) THEN ALLOCATE (move_data) move_data = c_move_data END IF CALL dbcsr_t_copy(tensor_in, tensor_out, order, summation, bounds, move_data, c_unit_nr) # 954 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 955 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(order)) DEALLOCATE (order) # 955 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(bounds)) DEALLOCATE (bounds) # 955 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(summation)) DEALLOCATE (summation) # 955 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (ASSOCIATED(move_data)) DEALLOCATE (move_data) # 957 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" END SUBROUTINE # 961 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_scale_r_dp (c_tensor, c_alpha) & BIND(C, name="c_dbcsr_t_scale_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor REAL (kind=c_double), INTENT(IN), VALUE :: c_alpha TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_scale(tensor, dbcsr_scalar(c_alpha)) END SUBROUTINE # 961 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_scale_r_sp (c_tensor, c_alpha) & BIND(C, name="c_dbcsr_t_scale_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor REAL (kind=c_float), INTENT(IN), VALUE :: c_alpha TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_scale(tensor, dbcsr_scalar(c_alpha)) END SUBROUTINE # 961 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_scale_c_dp (c_tensor, c_alpha) & BIND(C, name="c_dbcsr_t_scale_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor COMPLEX (kind=c_double_complex), INTENT(IN), VALUE :: c_alpha TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_scale(tensor, dbcsr_scalar(c_alpha)) END SUBROUTINE # 961 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_scale_c_sp (c_tensor, c_alpha) & BIND(C, name="c_dbcsr_t_scale_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor COMPLEX (kind=c_float_complex), INTENT(IN), VALUE :: c_alpha TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_scale(tensor, dbcsr_scalar(c_alpha)) END SUBROUTINE # 977 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_clear(c_tensor) BIND(C, name="c_dbcsr_t_clear") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_clear(tensor) END SUBROUTINE SUBROUTINE c_dbcsr_t_get_info(c_tensor, tensor_dim, c_nblks_total, & c_nfull_total, & c_nblks_local, & c_nfull_local, & c_pdims, & c_my_ploc, & nblks_local_1, nblks_local_2, nblks_local_3, nblks_local_4, & nblks_total_1, nblks_total_2, nblks_total_3, nblks_total_4, & c_blks_local_1, c_blks_local_2, c_blks_local_3, c_blks_local_4, & c_proc_dist_1, c_proc_dist_2, c_proc_dist_3, c_proc_dist_4, & c_blk_size_1, c_blk_size_2, c_blk_size_3, c_blk_size_4, & c_blk_offset_1, c_blk_offset_2, c_blk_offset_3, c_blk_offset_4, & c_distribution, & c_name, & c_data_type) & BIND(C, name="c_dbcsr_t_get_info") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), INTENT(OUT), & OPTIONAL :: c_nblks_total INTEGER(kind=c_int), DIMENSION(tensor_dim), INTENT(OUT), & OPTIONAL :: c_nfull_total INTEGER(kind=c_int), DIMENSION(tensor_dim), INTENT(OUT), & OPTIONAL :: c_nblks_local INTEGER(kind=c_int), DIMENSION(tensor_dim), INTENT(OUT), & OPTIONAL :: c_nfull_local INTEGER(kind=c_int), DIMENSION(tensor_dim), INTENT(OUT), & OPTIONAL :: c_my_ploc INTEGER(kind=c_int), DIMENSION(tensor_dim), INTENT(OUT), & OPTIONAL :: c_pdims # 1022 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" INTEGER(kind=c_int), INTENT(IN), VALUE :: nblks_local_1 INTEGER(kind=c_int), INTENT(IN), VALUE :: nblks_total_1 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_local_1) :: c_blks_local_1 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_1) :: c_proc_dist_1 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_1) :: c_blk_size_1 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_1) :: c_blk_offset_1 # 1022 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" INTEGER(kind=c_int), INTENT(IN), VALUE :: nblks_local_2 INTEGER(kind=c_int), INTENT(IN), VALUE :: nblks_total_2 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_local_2) :: c_blks_local_2 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_2) :: c_proc_dist_2 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_2) :: c_blk_size_2 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_2) :: c_blk_offset_2 # 1022 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" INTEGER(kind=c_int), INTENT(IN), VALUE :: nblks_local_3 INTEGER(kind=c_int), INTENT(IN), VALUE :: nblks_total_3 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_local_3) :: c_blks_local_3 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_3) :: c_proc_dist_3 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_3) :: c_blk_size_3 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_3) :: c_blk_offset_3 # 1022 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" INTEGER(kind=c_int), INTENT(IN), VALUE :: nblks_local_4 INTEGER(kind=c_int), INTENT(IN), VALUE :: nblks_total_4 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_local_4) :: c_blks_local_4 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_4) :: c_proc_dist_4 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_4) :: c_blk_size_4 INTEGER(kind=c_int), INTENT(OUT), OPTIONAL, & DIMENSION(nblks_total_4) :: c_blk_offset_4 # 1033 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" TYPE(c_ptr), INTENT(OUT), OPTIONAL :: c_distribution TYPE(c_ptr), INTENT(OUT), OPTIONAL :: c_name INTEGER(kind=c_int), INTENT(OUT), OPTIONAL :: c_data_type TYPE(dbcsr_t_type), POINTER :: tensor TYPE(dbcsr_t_distribution_type), POINTER :: distribution CHARACTER(kind=c_char, len=:), POINTER :: name CALL c_f_pointer(c_tensor, tensor) NULLIFY (distribution) IF (PRESENT(c_distribution)) ALLOCATE (distribution) NULLIFY (name) IF (PRESENT(c_name)) ALLOCATE (CHARACTER(len=default_string_length) :: name) CALL dbcsr_t_get_info(tensor, c_nblks_total, c_nfull_total, c_nblks_local, & c_nfull_local, c_pdims, c_my_ploc, & c_blks_local_1, c_blks_local_2, c_blks_local_3, c_blks_local_4, & c_proc_dist_1, c_proc_dist_2, c_proc_dist_3, c_proc_dist_4, & c_blk_size_1, c_blk_size_2, c_blk_size_3, c_blk_size_4, & c_blk_offset_1, c_blk_offset_2, c_blk_offset_3, c_blk_offset_4, & distribution, name, & c_data_type) # 1060 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1061 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1062 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_blks_local_1)) c_blks_local_1 = c_blks_local_1-1 # 1062 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_blk_offset_1)) c_blk_offset_1 = c_blk_offset_1-1 # 1064 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1061 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1062 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_blks_local_2)) c_blks_local_2 = c_blks_local_2-1 # 1062 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_blk_offset_2)) c_blk_offset_2 = c_blk_offset_2-1 # 1064 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1061 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1062 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_blks_local_3)) c_blks_local_3 = c_blks_local_3-1 # 1062 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_blk_offset_3)) c_blk_offset_3 = c_blk_offset_3-1 # 1064 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1061 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1062 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_blks_local_4)) c_blks_local_4 = c_blks_local_4-1 # 1062 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_blk_offset_4)) c_blk_offset_4 = c_blk_offset_4-1 # 1064 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1065 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_name)) THEN name = TRIM(name)//char(0) c_name = c_loc(name) END IF IF (PRESENT(c_distribution)) c_distribution = c_loc(distribution) END SUBROUTINE SUBROUTINE c_dbcsr_t_get_mapping_info(c_tensor, nd_size, nd_row_size, & nd_col_size, ndim_nd, ndim1_2d, ndim2_2d, & c_dims_2d_i8, c_dims_2d, c_dims_nd, & c_dims1_2d, c_dims2_2d, & c_map1_2d, c_map2_2d, & c_map_nd, base, c_col_major) & BIND(C, name="c_dbcsr_t_get_mapping_info") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor !! nd_size = ndims_mapping(map), !! nd_row_size = ndims_mapping_row(map), !! nd_col_size = ndims_mapping_column(map) INTEGER(kind=c_int), INTENT(IN), VALUE :: nd_size, nd_row_size, nd_col_size INTEGER(kind=c_int), INTENT(OUT), OPTIONAL :: ndim_nd, ndim1_2d, ndim2_2d INTEGER(kind=c_long_long), INTENT(OUT), DIMENSION(2), & OPTIONAL :: c_dims_2d_i8 INTEGER(kind=c_int), INTENT(OUT), DIMENSION(2), & OPTIONAL :: c_dims_2d INTEGER(kind=c_int), INTENT(OUT), DIMENSION(nd_size), & OPTIONAL :: c_dims_nd INTEGER(kind=c_int), INTENT(OUT), DIMENSION(nd_row_size), & OPTIONAL :: c_dims1_2d, c_map1_2d INTEGER(kind=c_int), INTENT(OUT), DIMENSION(nd_col_size), & OPTIONAL :: c_dims2_2d, c_map2_2d INTEGER(kind=c_int), INTENT(OUT), DIMENSION(nd_size), & OPTIONAL :: c_map_nd INTEGER(kind=c_int), INTENT(OUT), OPTIONAL :: base LOGICAL(kind=c_bool), INTENT(OUT), OPTIONAL :: c_col_major TYPE(dbcsr_t_type), POINTER :: tensor LOGICAL :: col_major CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_col_major)) THEN CALL dbcsr_t_get_mapping_info(tensor%nd_index_blk, ndim_nd, ndim1_2d, & ndim2_2d, c_dims_2d_i8, c_dims_2d, c_dims_nd, & c_dims1_2d, c_dims2_2d, & c_map1_2d, c_map2_2d, c_map_nd, & base, col_major) c_col_major = LOGICAL(col_major, kind=c_bool) ELSE CALL dbcsr_t_get_mapping_info(tensor%nd_index_blk, ndim_nd, ndim1_2d, & ndim2_2d, c_dims_2d_i8, c_dims_2d, c_dims_nd, & c_dims1_2d, c_dims2_2d, & c_map1_2d, c_map2_2d, c_map_nd, & base) END IF # 1128 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" # 1129 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_dims_nd)) c_dims_nd = c_dims_nd-1 # 1129 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_dims1_2d)) c_dims1_2d = c_dims1_2d-1 # 1129 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_dims2_2d)) c_dims2_2d = c_dims2_2d-1 # 1129 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_map1_2d)) c_map1_2d = c_map1_2d-1 # 1129 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_map2_2d)) c_map2_2d = c_map2_2d-1 # 1129 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" IF (PRESENT(c_map_nd)) c_map_nd = c_map_nd-1 # 1131 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" END SUBROUTINE FUNCTION c_dbcsr_t_get_num_blocks(c_tensor) RESULT(c_num_blocks) & BIND(C, name="c_dbcsr_t_get_num_blocks") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor INTEGER(kind=c_int) :: c_num_blocks CALL c_f_pointer(c_tensor, tensor) c_num_blocks = dbcsr_t_get_num_blocks(tensor) END FUNCTION FUNCTION c_dbcsr_t_get_num_blocks_total(c_tensor) RESULT(c_num_blocks_total) & BIND(C, name="c_dbcsr_t_get_num_blocks_total") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor INTEGER(kind=c_long_long) :: c_num_blocks_total CALL c_f_pointer(c_tensor, tensor) c_num_blocks_total = dbcsr_t_get_num_blocks_total(tensor) END FUNCTION FUNCTION c_dbcsr_t_nblks_local(c_tensor, idim) & BIND(C, name="c_dbcsr_t_nblks_local") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: idim INTEGER(kind=c_int) :: c_dbcsr_t_nblks_local TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) c_dbcsr_t_nblks_local = dbcsr_t_nblks_local(tensor, idim + 1) END FUNCTION FUNCTION c_dbcsr_t_nblks_total(c_tensor, idim) & BIND(C, name="c_dbcsr_t_nblks_total") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: idim INTEGER(kind=c_int) :: c_dbcsr_t_nblks_total TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) c_dbcsr_t_nblks_total = dbcsr_t_nblks_total(tensor, idim + 1) END FUNCTION SUBROUTINE c_dbcsr_t_dims(c_tensor, tensor_dim, c_dims) & BIND(C, name="c_dbcsr_t_dims") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), INTENT(IN), VALUE :: tensor_dim INTEGER(kind=c_int), DIMENSION(tensor_dim), & INTENT(OUT) :: c_dims TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_dims(tensor, c_dims) END SUBROUTINE FUNCTION c_dbcsr_t_ndims(c_tensor) BIND(C, name="c_dbcsr_t_ndims") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor INTEGER(kind=c_int) :: c_dbcsr_t_ndims CALL c_f_pointer(c_tensor, tensor) c_dbcsr_t_ndims = dbcsr_t_ndims(tensor) END FUNCTION FUNCTION c_dbcsr_t_ndims_matrix_row(c_tensor) & BIND(C, name="c_dbcsr_t_ndims_matrix_row") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor INTEGER(kind=c_long_long) :: c_dbcsr_t_ndims_matrix_row CALL c_f_pointer(c_tensor, tensor) c_dbcsr_t_ndims_matrix_row = & dbcsr_t_ndims_matrix_row(tensor) END FUNCTION FUNCTION c_dbcsr_t_ndims_matrix_column(c_tensor) & BIND(C, name="c_dbcsr_t_ndims_matrix_column") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor INTEGER(kind=c_long_long) :: c_dbcsr_t_ndims_matrix_column CALL c_f_pointer(c_tensor, tensor) c_dbcsr_t_ndims_matrix_column = & dbcsr_t_ndims_matrix_column(tensor) END FUNCTION FUNCTION c_dbcsr_t_get_nze(c_tensor) & BIND(C, name="c_dbcsr_t_get_nze") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor INTEGER(kind=c_int) :: c_dbcsr_t_get_nze CALL c_f_pointer(c_tensor, tensor) c_dbcsr_t_get_nze = dbcsr_t_get_nze(tensor) END FUNCTION FUNCTION c_dbcsr_t_get_nze_total(c_tensor) & BIND(C, name="c_dbcsr_t_get_nze_total") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor INTEGER(kind=c_long_long) :: c_dbcsr_t_get_nze_total CALL c_f_pointer(c_tensor, tensor) c_dbcsr_t_get_nze_total = dbcsr_t_get_nze_total(tensor) END FUNCTION FUNCTION c_dbcsr_t_max_nblks_local(c_tensor) RESULT(max_blks) & BIND(C, name="c_dbcsr_t_max_nblks_local") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_long_long) :: max_blks TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) max_blks = dbcsr_t_max_nblks_local(tensor) END FUNCTION # 1277 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_data_r_dp (c_tensor, c_data, c_data_size, & c_select_data_type, c_lb, c_ub) BIND(C, name="c_dbcsr_t_get_data_r_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(c_ptr), INTENT(INOUT) :: c_data INTEGER(kind=c_long_long), INTENT(INOUT) :: c_data_size REAL (kind=c_double), INTENT(IN), VALUE :: c_select_data_type INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_lb, c_ub TYPE(dbcsr_t_type), POINTER :: tensor REAL (kind=c_double), DIMENSION(:), POINTER :: DATA INTEGER, POINTER :: lb, ub CALL c_f_pointer(c_tensor, tensor) NULLIFY (lb) IF (PRESENT(c_lb)) THEN ALLOCATE (lb) lb = c_lb + 1 END IF NULLIFY (ub) IF (PRESENT(c_ub)) THEN ALLOCATE (ub) ub = ub + 1 END IF DATA => dbcsr_get_data_p(tensor%matrix_rep%matrix%data_area, & c_select_data_type, lb, ub) c_data = c_loc(DATA) c_data_size = SIZE(DATA) IF (ASSOCIATED(lb)) DEALLOCATE (lb) IF (ASSOCIATED(ub)) DEALLOCATE (ub) END SUBROUTINE # 1277 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_data_r_sp (c_tensor, c_data, c_data_size, & c_select_data_type, c_lb, c_ub) BIND(C, name="c_dbcsr_t_get_data_r_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(c_ptr), INTENT(INOUT) :: c_data INTEGER(kind=c_long_long), INTENT(INOUT) :: c_data_size REAL (kind=c_float), INTENT(IN), VALUE :: c_select_data_type INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_lb, c_ub TYPE(dbcsr_t_type), POINTER :: tensor REAL (kind=c_float), DIMENSION(:), POINTER :: DATA INTEGER, POINTER :: lb, ub CALL c_f_pointer(c_tensor, tensor) NULLIFY (lb) IF (PRESENT(c_lb)) THEN ALLOCATE (lb) lb = c_lb + 1 END IF NULLIFY (ub) IF (PRESENT(c_ub)) THEN ALLOCATE (ub) ub = ub + 1 END IF DATA => dbcsr_get_data_p(tensor%matrix_rep%matrix%data_area, & c_select_data_type, lb, ub) c_data = c_loc(DATA) c_data_size = SIZE(DATA) IF (ASSOCIATED(lb)) DEALLOCATE (lb) IF (ASSOCIATED(ub)) DEALLOCATE (ub) END SUBROUTINE # 1277 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_data_c_dp (c_tensor, c_data, c_data_size, & c_select_data_type, c_lb, c_ub) BIND(C, name="c_dbcsr_t_get_data_c_dp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(c_ptr), INTENT(INOUT) :: c_data INTEGER(kind=c_long_long), INTENT(INOUT) :: c_data_size COMPLEX (kind=c_double_complex), INTENT(IN), VALUE :: c_select_data_type INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_lb, c_ub TYPE(dbcsr_t_type), POINTER :: tensor COMPLEX (kind=c_double_complex), DIMENSION(:), POINTER :: DATA INTEGER, POINTER :: lb, ub CALL c_f_pointer(c_tensor, tensor) NULLIFY (lb) IF (PRESENT(c_lb)) THEN ALLOCATE (lb) lb = c_lb + 1 END IF NULLIFY (ub) IF (PRESENT(c_ub)) THEN ALLOCATE (ub) ub = ub + 1 END IF DATA => dbcsr_get_data_p(tensor%matrix_rep%matrix%data_area, & c_select_data_type, lb, ub) c_data = c_loc(DATA) c_data_size = SIZE(DATA) IF (ASSOCIATED(lb)) DEALLOCATE (lb) IF (ASSOCIATED(ub)) DEALLOCATE (ub) END SUBROUTINE # 1277 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_get_data_c_sp (c_tensor, c_data, c_data_size, & c_select_data_type, c_lb, c_ub) BIND(C, name="c_dbcsr_t_get_data_c_sp") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(c_ptr), INTENT(INOUT) :: c_data INTEGER(kind=c_long_long), INTENT(INOUT) :: c_data_size COMPLEX (kind=c_float_complex), INTENT(IN), VALUE :: c_select_data_type INTEGER(kind=c_int), INTENT(IN), OPTIONAL :: c_lb, c_ub TYPE(dbcsr_t_type), POINTER :: tensor COMPLEX (kind=c_float_complex), DIMENSION(:), POINTER :: DATA INTEGER, POINTER :: lb, ub CALL c_f_pointer(c_tensor, tensor) NULLIFY (lb) IF (PRESENT(c_lb)) THEN ALLOCATE (lb) lb = c_lb + 1 END IF NULLIFY (ub) IF (PRESENT(c_ub)) THEN ALLOCATE (ub) ub = ub + 1 END IF DATA => dbcsr_get_data_p(tensor%matrix_rep%matrix%data_area, & c_select_data_type, lb, ub) c_data = c_loc(DATA) c_data_size = SIZE(DATA) IF (ASSOCIATED(lb)) DEALLOCATE (lb) IF (ASSOCIATED(ub)) DEALLOCATE (ub) END SUBROUTINE # 1315 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_api_c.F" SUBROUTINE c_dbcsr_t_batched_contract_init(c_tensor) & BIND(C, name="c_dbcsr_t_batched_contract_init") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) CALL dbcsr_t_batched_contract_init(tensor) END SUBROUTINE SUBROUTINE c_dbcsr_t_batched_contract_finalize(c_tensor, c_unit_nr) & BIND(C, name="c_dbcsr_t_batched_contract_finalize") TYPE(c_ptr), INTENT(IN), VALUE :: c_tensor INTEGER(kind=c_int), OPTIONAL :: c_unit_nr TYPE(dbcsr_t_type), POINTER :: tensor CALL c_f_pointer(c_tensor, tensor) IF (PRESENT(c_unit_nr)) THEN CALL dbcsr_t_batched_contract_finalize(tensor, c_unit_nr) ELSE CALL dbcsr_t_batched_contract_finalize(tensor) END IF END SUBROUTINE END MODULE