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dbcsr_api.F
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!--------------------------------------------------------------------------------------------------!
! 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+ !
!--------------------------------------------------------------------------------------------------!
MODULE dbcsr_api
!! This is the start of a dbcsr_api, all publicly needed functions
!! are exported here. The others remain private to the library.
!! Currently, this is the CP2K used set.
!! Ultimately, a reduced subset and well defined api will remain,
!! possibly grouped in to standard and expert api.
!! Currently, this is work in progress.
USE dbcsr_array_types, ONLY: array_data, &
array_exists, &
array_size
USE dbcsr_block_access, ONLY: dbcsr_get_block_p_prv => dbcsr_get_block_p, &
dbcsr_put_block_prv => dbcsr_put_block, &
dbcsr_reserve_all_blocks_prv => dbcsr_reserve_all_blocks, &
dbcsr_reserve_block2d_prv => dbcsr_reserve_block2d, &
dbcsr_reserve_blocks_prv => dbcsr_reserve_blocks, &
dbcsr_reserve_diag_blocks_prv => dbcsr_reserve_diag_blocks
USE dbcsr_config, ONLY: dbcsr_get_default_config, &
dbcsr_print_config, &
dbcsr_set_config
USE dbcsr_csr_conversions, ONLY: &
convert_csr_to_dbcsr_prv => convert_csr_to_dbcsr, &
convert_dbcsr_to_csr_prv => convert_dbcsr_to_csr, &
csr_create_from_dbcsr_prv => csr_create_from_dbcsr, csr_create_new_prv => csr_create_new, &
csr_create_template, dbcsr_csr_dbcsr_blkrow_dist => csr_dbcsr_blkrow_dist, &
dbcsr_csr_destroy => csr_destroy, dbcsr_csr_eqrow_ceil_dist => csr_eqrow_ceil_dist, &
dbcsr_csr_eqrow_floor_dist => csr_eqrow_floor_dist, dbcsr_csr_p_type => csr_p_type, &
dbcsr_csr_print_sparsity => csr_print_sparsity, dbcsr_csr_type => csr_type, &
dbcsr_csr_write => csr_write, &
dbcsr_to_csr_filter_prv => dbcsr_to_csr_filter, csr_type
USE dbcsr_data_methods, ONLY: dbcsr_get_data_p_prv => dbcsr_get_data_p, &
dbcsr_scalar, &
dbcsr_scalar_fill_all, &
dbcsr_scalar_get_type, &
dbcsr_scalar_get_value, &
dbcsr_scalar_set_type, &
dbcsr_scalar_zero
USE dbcsr_dist_methods, ONLY: dbcsr_distribution_get_num_images => dbcsr_distribution_get_num_images_1d, &
dbcsr_distribution_hold_prv => dbcsr_distribution_hold, &
dbcsr_distribution_new_prv => dbcsr_distribution_new, &
dbcsr_distribution_release_prv => dbcsr_distribution_release, &
dbcsr_distribution_get_prv => dbcsr_distribution_get
USE dbcsr_dist_operations, ONLY: dbcsr_get_stored_coordinates_prv => dbcsr_get_stored_coordinates
USE dbcsr_io, ONLY: dbcsr_binary_read_prv => dbcsr_binary_read, &
dbcsr_binary_write_prv => dbcsr_binary_write, &
dbcsr_print_block_sum_prv => dbcsr_print_block_sum, &
dbcsr_print_prv => dbcsr_print
USE dbcsr_iterator_operations, ONLY: dbcsr_iterator_blocks_left_prv => dbcsr_iterator_blocks_left, &
dbcsr_iterator_next_block_prv => dbcsr_iterator_next_block, &
dbcsr_iterator_start_prv => dbcsr_iterator_start, &
dbcsr_iterator_stop_prv => dbcsr_iterator_stop
USE dbcsr_lib, ONLY: dbcsr_clear_mempools, &
dbcsr_finalize_lib, &
dbcsr_init_lib, dbcsr_print_statistics_prv => dbcsr_print_statistics
USE dbcsr_methods, ONLY: &
dbcsr_get_data_size_prv => dbcsr_get_data_size, &
dbcsr_get_data_type_prv => dbcsr_get_data_type, &
dbcsr_get_matrix_type_prv => dbcsr_get_matrix_type, &
dbcsr_get_num_blocks_prv => dbcsr_get_num_blocks, &
dbcsr_has_symmetry_prv => dbcsr_has_symmetry, &
dbcsr_nblkcols_total_prv => dbcsr_nblkcols_total, &
dbcsr_nblkrows_total_prv => dbcsr_nblkrows_total, &
dbcsr_nblkcols_local_prv => dbcsr_nblkcols_local, &
dbcsr_nblkrows_local_prv => dbcsr_nblkrows_local, &
dbcsr_nfullcols_total_prv => dbcsr_nfullcols_total, &
dbcsr_nfullrows_total_prv => dbcsr_nfullrows_total, &
dbcsr_release_prv => dbcsr_release, &
dbcsr_setname_prv => dbcsr_setname, &
dbcsr_valid_index_prv => dbcsr_valid_index, dbcsr_wm_use_mutable
USE dbcsr_mpiwrap, ONLY: mp_comm_type
USE dbcsr_mp_methods, ONLY: dbcsr_mp_grid_setup_prv => dbcsr_mp_grid_setup
USE dbcsr_multiply_api, ONLY: dbcsr_multiply_prv => dbcsr_multiply
USE dbcsr_operations, ONLY: &
dbcsr_add_on_diag_prv => dbcsr_add_on_diag, &
dbcsr_add_prv => dbcsr_add, &
dbcsr_copy_into_existing_prv => dbcsr_copy_into_existing, &
dbcsr_copy_prv => dbcsr_copy, &
dbcsr_filter_anytype, &
dbcsr_frobenius_norm_prv => dbcsr_frobenius_norm, &
dbcsr_function_of_elements_prv => dbcsr_function_of_elements, &
dbcsr_gershgorin_norm_prv => dbcsr_gershgorin_norm, &
dbcsr_get_block_diag_prv => dbcsr_get_block_diag, &
dbcsr_get_diag_prv => dbcsr_get_diag, &
dbcsr_get_info_prv => dbcsr_get_info, &
dbcsr_get_occupation_prv => dbcsr_get_occupation, &
dbcsr_hadamard_product_prv => dbcsr_hadamard_product, &
dbcsr_init_random_prv => dbcsr_init_random, &
dbcsr_maxabs_prv => dbcsr_maxabs, &
dbcsr_norm_scalar_prv => dbcsr_norm_scalar, &
dbcsr_norm_r8_vec_prv => dbcsr_norm_r8_vec, &
dbcsr_scale_by_vector_prv => dbcsr_scale_by_vector, &
dbcsr_scale_prv => dbcsr_scale, &
dbcsr_set_diag_prv => dbcsr_set_diag, &
dbcsr_set_prv => dbcsr_set, &
dbcsr_sum_replicated_prv => dbcsr_sum_replicated, &
dbcsr_trace_prv => dbcsr_trace, &
dbcsr_dot_prv => dbcsr_dot, &
dbcsr_triu_prv => dbcsr_triu, &
dbcsr_clear_prv => dbcsr_clear, &
dbcsr_add_block_node_prv => dbcsr_add_block_node, &
dbcsr_conform_scalar_prv => dbcsr_conform_scalar
USE dbcsr_test_methods, ONLY: dbcsr_reset_randmat_seed
USE dbcsr_tests, ONLY: dbcsr_run_tests_prv => dbcsr_run_tests, &
dbcsr_test_binary_io, &
dbcsr_test_mm
USE dbcsr_string_utilities, ONLY: uppercase
USE dbcsr_transformations, ONLY: dbcsr_complete_redistribute_prv => dbcsr_complete_redistribute, &
dbcsr_desymmetrize_deep_prv => dbcsr_desymmetrize_deep, &
dbcsr_distribute_prv => dbcsr_distribute, &
dbcsr_replicate_all_prv => dbcsr_replicate_all, &
dbcsr_transposed_prv => dbcsr_transposed
USE dbcsr_types, ONLY: &
dbcsr_dist_prv_obj => dbcsr_distribution_obj, dbcsr_func_artanh, dbcsr_func_dtanh, &
dbcsr_func_inverse, dbcsr_func_tanh, dbcsr_iterator_prv => dbcsr_iterator, dbcsr_mp_obj, &
dbcsr_no_transpose, dbcsr_norm_column, dbcsr_norm_frobenius, dbcsr_norm_maxabsnorm, &
dbcsr_prv_type => dbcsr_type, dbcsr_scalar_type, dbcsr_transpose, &
dbcsr_type_antisymmetric, dbcsr_type_complex_4, dbcsr_type_complex_8, &
dbcsr_type_complex_default, dbcsr_type_no_symmetry, dbcsr_type_real_4, dbcsr_type_real_8, &
dbcsr_type_real_default, dbcsr_type_symmetric
USE dbcsr_dist_util, ONLY: dbcsr_convert_offsets_to_sizes => convert_offsets_to_sizes, &
dbcsr_convert_sizes_to_offsets => convert_sizes_to_offsets, &
dbcsr_checksum_prv => dbcsr_checksum, &
dbcsr_verify_matrix_prv => dbcsr_verify_matrix
USE dbcsr_work_operations, ONLY: add_work_coordinate_prv => add_work_coordinate, &
dbcsr_create_prv => dbcsr_create, &
dbcsr_finalize_prv => dbcsr_finalize, &
dbcsr_work_create_prv => dbcsr_work_create
USE dbcsr_kinds, ONLY: default_string_length, &
dp, &
int_8, &
real_4, &
real_8
#include "base/dbcsr_base_uses.f90"
IMPLICIT NONE
CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'dbcsr_api'
! constants
PUBLIC :: dbcsr_type_no_symmetry
PUBLIC :: dbcsr_type_symmetric
PUBLIC :: dbcsr_type_antisymmetric
PUBLIC :: dbcsr_transpose
PUBLIC :: dbcsr_no_transpose
PUBLIC :: dbcsr_type_complex_8
PUBLIC :: dbcsr_type_real_4
PUBLIC :: dbcsr_type_real_8
PUBLIC :: dbcsr_type_complex_4
PUBLIC :: dbcsr_type_complex_default
PUBLIC :: dbcsr_type_real_default
! types
PUBLIC :: dbcsr_type
PUBLIC :: dbcsr_p_type
PUBLIC :: dbcsr_distribution_type
PUBLIC :: dbcsr_iterator_type
PUBLIC :: dbcsr_scalar_type
! lib init/finalize
PUBLIC :: dbcsr_clear_mempools
PUBLIC :: dbcsr_init_lib
PUBLIC :: dbcsr_finalize_lib
PUBLIC :: dbcsr_set_config
PUBLIC :: dbcsr_get_default_config
PUBLIC :: dbcsr_print_config
PUBLIC :: dbcsr_reset_randmat_seed
PUBLIC :: dbcsr_mp_grid_setup
PUBLIC :: dbcsr_print_statistics
! create / release
PUBLIC :: dbcsr_distribution_hold
PUBLIC :: dbcsr_distribution_release
PUBLIC :: dbcsr_distribution_new
PUBLIC :: dbcsr_create
PUBLIC :: dbcsr_init_p
PUBLIC :: dbcsr_release
PUBLIC :: dbcsr_release_p
PUBLIC :: dbcsr_deallocate_matrix
! primitive matrix operations
PUBLIC :: dbcsr_set
PUBLIC :: dbcsr_add
PUBLIC :: dbcsr_scale
PUBLIC :: dbcsr_scale_by_vector
PUBLIC :: dbcsr_transposed
PUBLIC :: dbcsr_multiply
PUBLIC :: dbcsr_copy
PUBLIC :: dbcsr_copy_into_existing
PUBLIC :: dbcsr_desymmetrize
PUBLIC :: dbcsr_add_on_diag
PUBLIC :: dbcsr_get_block_diag
PUBLIC :: dbcsr_set_diag
PUBLIC :: dbcsr_get_diag
PUBLIC :: dbcsr_filter
PUBLIC :: dbcsr_trace
PUBLIC :: dbcsr_dot
PUBLIC :: dbcsr_complete_redistribute
PUBLIC :: dbcsr_get_block_p
PUBLIC :: dbcsr_clear
! block reservation
PUBLIC :: dbcsr_reserve_diag_blocks
PUBLIC :: dbcsr_reserve_block2d
PUBLIC :: dbcsr_reserve_blocks
PUBLIC :: dbcsr_reserve_all_blocks
! iterator
PUBLIC :: dbcsr_iterator_start
PUBLIC :: dbcsr_iterator_stop
PUBLIC :: dbcsr_iterator_blocks_left
PUBLIC :: dbcsr_iterator_next_block
! getters / setters
PUBLIC :: dbcsr_get_info
PUBLIC :: dbcsr_distribution_get
PUBLIC :: dbcsr_setname
PUBLIC :: dbcsr_get_matrix_type
PUBLIC :: dbcsr_get_occupation
PUBLIC :: dbcsr_nblkrows_total
PUBLIC :: dbcsr_nblkcols_total
PUBLIC :: dbcsr_nblkrows_local
PUBLIC :: dbcsr_nblkcols_local
PUBLIC :: dbcsr_get_num_blocks
PUBLIC :: dbcsr_get_data_size
PUBLIC :: dbcsr_has_symmetry
PUBLIC :: dbcsr_nfullrows_total
PUBLIC :: dbcsr_nfullcols_total
PUBLIC :: dbcsr_get_stored_coordinates
PUBLIC :: dbcsr_valid_index
PUBLIC :: dbcsr_get_data_type
! work operations
PUBLIC :: dbcsr_add_block_node
PUBLIC :: dbcsr_put_block
PUBLIC :: dbcsr_work_create
PUBLIC :: dbcsr_verify_matrix
PUBLIC :: dbcsr_add_work_coordinate
PUBLIC :: dbcsr_get_wms_data_p
PUBLIC :: dbcsr_get_data_p
PUBLIC :: dbcsr_set_work_size
PUBLIC :: dbcsr_finalize
! replication
PUBLIC :: dbcsr_replicate_all
PUBLIC :: dbcsr_sum_replicated
PUBLIC :: dbcsr_distribute
! misc
PUBLIC :: dbcsr_distribution_get_num_images
PUBLIC :: dbcsr_convert_offsets_to_sizes
PUBLIC :: dbcsr_convert_sizes_to_offsets
PUBLIC :: dbcsr_run_tests
PUBLIC :: dbcsr_test_mm
PUBLIC :: dbcsr_scalar
! high level matrix functions
PUBLIC :: dbcsr_norm_frobenius
PUBLIC :: dbcsr_norm_maxabsnorm
PUBLIC :: dbcsr_norm_column
PUBLIC :: dbcsr_hadamard_product
PUBLIC :: dbcsr_func_artanh
PUBLIC :: dbcsr_func_dtanh
PUBLIC :: dbcsr_func_inverse
PUBLIC :: dbcsr_func_tanh
PUBLIC :: dbcsr_print
PUBLIC :: dbcsr_print_block_sum
PUBLIC :: dbcsr_checksum
PUBLIC :: dbcsr_maxabs
PUBLIC :: dbcsr_norm
PUBLIC :: dbcsr_gershgorin_norm
PUBLIC :: dbcsr_frobenius_norm
PUBLIC :: dbcsr_init_random
PUBLIC :: dbcsr_function_of_elements
PUBLIC :: dbcsr_triu
! csr conversion
PUBLIC :: dbcsr_csr_type
PUBLIC :: dbcsr_csr_p_type
PUBLIC :: dbcsr_convert_csr_to_dbcsr
PUBLIC :: dbcsr_convert_dbcsr_to_csr
PUBLIC :: dbcsr_csr_create_from_dbcsr
PUBLIC :: dbcsr_csr_destroy
PUBLIC :: dbcsr_csr_create
PUBLIC :: dbcsr_csr_eqrow_floor_dist
PUBLIC :: dbcsr_csr_eqrow_ceil_dist
PUBLIC :: dbcsr_csr_dbcsr_blkrow_dist
PUBLIC :: dbcsr_csr_print_sparsity
PUBLIC :: dbcsr_to_csr_filter
PUBLIC :: dbcsr_csr_write
! binary io
PUBLIC :: dbcsr_binary_write
PUBLIC :: dbcsr_binary_read
PUBLIC :: dbcsr_test_binary_io
! -----------------------------------------------------------------------------------------------
TYPE dbcsr_type
TYPE(dbcsr_prv_type), PRIVATE :: prv = dbcsr_prv_type()
END TYPE dbcsr_type
TYPE dbcsr_p_type
TYPE(dbcsr_type), POINTER :: matrix => Null()
END TYPE dbcsr_p_type
! the components of this type must remain private to encapsulate better the internals
! of the dbcsr library.
TYPE dbcsr_distribution_type
TYPE(dbcsr_dist_prv_obj), PRIVATE :: prv = dbcsr_dist_prv_obj()
END TYPE dbcsr_distribution_type
TYPE dbcsr_iterator_type
TYPE(dbcsr_iterator_prv), PRIVATE :: prv = dbcsr_iterator_prv()
END TYPE dbcsr_iterator_type
INTERFACE dbcsr_create
MODULE PROCEDURE dbcsr_create_new, dbcsr_create_template
END INTERFACE
INTERFACE dbcsr_trace
MODULE PROCEDURE dbcsr_trace_d, dbcsr_trace_s
MODULE PROCEDURE dbcsr_trace_z, dbcsr_trace_c
END INTERFACE
INTERFACE dbcsr_dot
MODULE PROCEDURE dbcsr_dot_d, dbcsr_dot_s
MODULE PROCEDURE dbcsr_dot_z, dbcsr_dot_c
END INTERFACE
INTERFACE dbcsr_set
MODULE PROCEDURE dbcsr_set_d, dbcsr_set_s, dbcsr_set_c, dbcsr_set_z
END INTERFACE
INTERFACE dbcsr_add
MODULE PROCEDURE dbcsr_add_d, dbcsr_add_s, dbcsr_add_c, dbcsr_add_z
END INTERFACE
INTERFACE dbcsr_add_on_diag
MODULE PROCEDURE dbcsr_add_on_diag_d, dbcsr_add_on_diag_s
MODULE PROCEDURE dbcsr_add_on_diag_c, dbcsr_add_on_diag_z
END INTERFACE
INTERFACE dbcsr_get_diag
MODULE PROCEDURE dbcsr_get_diag_d, dbcsr_get_diag_s
MODULE PROCEDURE dbcsr_get_diag_c, dbcsr_get_diag_z
END INTERFACE
INTERFACE dbcsr_set_diag
MODULE PROCEDURE dbcsr_set_diag_d, dbcsr_set_diag_s
MODULE PROCEDURE dbcsr_set_diag_c, dbcsr_set_diag_z
END INTERFACE
INTERFACE dbcsr_scale
MODULE PROCEDURE dbcsr_scale_d, dbcsr_scale_s, dbcsr_scale_c, dbcsr_scale_z
END INTERFACE
INTERFACE dbcsr_scale_by_vector
MODULE PROCEDURE dbcsr_scale_by_vector_d, dbcsr_scale_by_vector_s
MODULE PROCEDURE dbcsr_scale_by_vector_c, dbcsr_scale_by_vector_z
END INTERFACE
INTERFACE dbcsr_multiply
MODULE PROCEDURE dbcsr_multiply_d, dbcsr_multiply_s, dbcsr_multiply_c, dbcsr_multiply_z
END INTERFACE
INTERFACE dbcsr_get_block_p
MODULE PROCEDURE dbcsr_get_block_p_d, dbcsr_get_block_p_s
MODULE PROCEDURE dbcsr_get_block_p_z, dbcsr_get_block_p_c
MODULE PROCEDURE dbcsr_get_2d_block_p_d, dbcsr_get_2d_block_p_s
MODULE PROCEDURE dbcsr_get_2d_block_p_z, dbcsr_get_2d_block_p_c
MODULE PROCEDURE dbcsr_get_block_notrans_p_d, dbcsr_get_block_notrans_p_s
MODULE PROCEDURE dbcsr_get_block_notrans_p_z, dbcsr_get_block_notrans_p_c
MODULE PROCEDURE dbcsr_get_2d_block_notrans_p_d, dbcsr_get_2d_block_notrans_p_s
MODULE PROCEDURE dbcsr_get_2d_block_notrans_p_z, dbcsr_get_2d_block_notrans_p_c
END INTERFACE
INTERFACE dbcsr_put_block
MODULE PROCEDURE dbcsr_put_block_d, dbcsr_put_block_s, dbcsr_put_block_z, dbcsr_put_block_c
MODULE PROCEDURE dbcsr_put_block2d_d, dbcsr_put_block2d_s, dbcsr_put_block2d_z, dbcsr_put_block2d_c
END INTERFACE
INTERFACE dbcsr_iterator_next_block
MODULE PROCEDURE dbcsr_iterator_next_block_index
MODULE PROCEDURE dbcsr_iterator_next_2d_block_d, dbcsr_iterator_next_2d_block_s
MODULE PROCEDURE dbcsr_iterator_next_2d_block_c, dbcsr_iterator_next_2d_block_z
MODULE PROCEDURE dbcsr_iterator_next_1d_block_d, dbcsr_iterator_next_1d_block_s
MODULE PROCEDURE dbcsr_iterator_next_1d_block_c, dbcsr_iterator_next_1d_block_z
MODULE PROCEDURE dbcsr_iterator_next_2d_block_notrans_d, dbcsr_iterator_next_2d_block_notrans_s
MODULE PROCEDURE dbcsr_iterator_next_2d_block_notrans_c, dbcsr_iterator_next_2d_block_notrans_z
MODULE PROCEDURE dbcsr_iterator_next_1d_block_notrans_d, dbcsr_iterator_next_1d_block_notrans_s
MODULE PROCEDURE dbcsr_iterator_next_1d_block_notrans_c, dbcsr_iterator_next_1d_block_notrans_z
END INTERFACE
INTERFACE dbcsr_reserve_block2d
MODULE PROCEDURE dbcsr_reserve_block2d_d, dbcsr_reserve_block2d_s
MODULE PROCEDURE dbcsr_reserve_block2d_c, dbcsr_reserve_block2d_z
END INTERFACE
INTERFACE dbcsr_csr_create
MODULE PROCEDURE csr_create_new, csr_create_template
END INTERFACE
INTERFACE dbcsr_get_wms_data_p
MODULE PROCEDURE dbcsr_get_wms_data_s, dbcsr_get_wms_data_c
MODULE PROCEDURE dbcsr_get_wms_data_d, dbcsr_get_wms_data_z
END INTERFACE
INTERFACE dbcsr_get_data_p
MODULE PROCEDURE dbcsr_get_data_s, dbcsr_get_data_c, dbcsr_get_data_d, dbcsr_get_data_z
END INTERFACE
INTERFACE dbcsr_norm
MODULE PROCEDURE dbcsr_norm_scalar
MODULE PROCEDURE dbcsr_norm_r8_vec
END INTERFACE dbcsr_norm
PRIVATE
CONTAINS
SUBROUTINE dbcsr_mp_grid_setup(dist)
TYPE(dbcsr_distribution_type), INTENT(INOUT) :: dist
CALL dbcsr_mp_grid_setup_prv(dist%prv%d%mp_env)
END SUBROUTINE dbcsr_mp_grid_setup
SUBROUTINE dbcsr_setname(matrix, newname)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
CHARACTER(len=*), INTENT(IN) :: newname
CALL dbcsr_setname_prv(matrix%prv, newname)
END SUBROUTINE dbcsr_setname
FUNCTION dbcsr_gershgorin_norm(matrix) RESULT(norm)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
REAL(KIND=real_8) :: norm
norm = dbcsr_gershgorin_norm_prv(matrix%prv)
END FUNCTION dbcsr_gershgorin_norm
FUNCTION dbcsr_frobenius_norm(matrix, local) RESULT(norm)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
LOGICAL, INTENT(in), OPTIONAL :: local
REAL(KIND=real_8) :: norm
norm = dbcsr_frobenius_norm_prv(matrix%prv, local)
END FUNCTION dbcsr_frobenius_norm
FUNCTION dbcsr_maxabs(matrix) RESULT(norm)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
REAL(KIND=real_8) :: norm
norm = dbcsr_maxabs_prv(matrix%prv)
END FUNCTION dbcsr_maxabs
SUBROUTINE dbcsr_complete_redistribute(matrix, redist, keep_sparsity, summation)
TYPE(dbcsr_type), INTENT(IN) :: matrix
TYPE(dbcsr_type), INTENT(INOUT) :: redist
LOGICAL, INTENT(IN), OPTIONAL :: keep_sparsity, summation
CALL dbcsr_complete_redistribute_prv(matrix%prv, redist%prv, keep_sparsity, summation)
END SUBROUTINE dbcsr_complete_redistribute
SUBROUTINE dbcsr_reserve_blocks(matrix, rows, cols, blk_pointers)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
INTEGER, DIMENSION(:), INTENT(IN) :: rows, cols
INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL :: blk_pointers
CALL dbcsr_reserve_blocks_prv(matrix%prv, rows, cols, blk_pointers)
END SUBROUTINE dbcsr_reserve_blocks
SUBROUTINE dbcsr_reserve_all_blocks(matrix)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
CALL dbcsr_reserve_all_blocks_prv(matrix%prv)
END SUBROUTINE dbcsr_reserve_all_blocks
SUBROUTINE dbcsr_reserve_diag_blocks(matrix)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
CALL dbcsr_reserve_diag_blocks_prv(matrix%prv)
END SUBROUTINE dbcsr_reserve_diag_blocks
SUBROUTINE dbcsr_add_work_coordinate(matrix, index_matrix, row, col, blk, index)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
INTEGER, INTENT(IN) :: index_matrix, row, col
INTEGER, INTENT(IN), OPTIONAL :: blk
INTEGER, INTENT(OUT), OPTIONAL :: index
CALL add_work_coordinate_prv(matrix%prv%wms(index_matrix), row, col, blk, index)
END SUBROUTINE dbcsr_add_work_coordinate
SUBROUTINE dbcsr_set_work_size(matrix, index_matrix, newvalue)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
INTEGER, INTENT(IN) :: index_matrix, newvalue
matrix%prv%wms(index_matrix)%datasize = newvalue
END SUBROUTINE dbcsr_set_work_size
SUBROUTINE dbcsr_init_random(matrix, keep_sparsity, mini_seed)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
LOGICAL, OPTIONAL :: keep_sparsity
INTEGER, INTENT(IN), OPTIONAL :: mini_seed
CALL dbcsr_init_random_prv(matrix%prv, keep_sparsity=keep_sparsity, mini_seed=mini_seed)
END SUBROUTINE dbcsr_init_random
PURE FUNCTION dbcsr_get_data_type(matrix) RESULT(data_type)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: data_type
data_type = dbcsr_get_data_type_prv(matrix%prv)
END FUNCTION dbcsr_get_data_type
PURE FUNCTION dbcsr_valid_index(matrix) RESULT(valid_index)
TYPE(dbcsr_type), INTENT(IN) :: matrix
LOGICAL :: valid_index
valid_index = dbcsr_valid_index_prv(matrix%prv)
END FUNCTION dbcsr_valid_index
SUBROUTINE dbcsr_get_stored_coordinates(matrix, row, column, processor)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER, INTENT(IN) :: row, column
INTEGER, INTENT(OUT), OPTIONAL :: processor
CALL dbcsr_get_stored_coordinates_prv(matrix%prv, row, column, processor)
END SUBROUTINE dbcsr_get_stored_coordinates
PURE FUNCTION dbcsr_get_num_blocks(matrix) RESULT(num_blocks)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: num_blocks
num_blocks = dbcsr_get_num_blocks_prv(matrix%prv)
END FUNCTION dbcsr_get_num_blocks
FUNCTION dbcsr_get_data_size(matrix) RESULT(data_size)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: data_size
data_size = dbcsr_get_data_size_prv(matrix%prv)
END FUNCTION dbcsr_get_data_size
PURE FUNCTION dbcsr_get_matrix_type(matrix) RESULT(matrix_type)
TYPE(dbcsr_type), INTENT(IN) :: matrix
CHARACTER :: matrix_type
matrix_type = dbcsr_get_matrix_type_prv(matrix%prv)
END FUNCTION dbcsr_get_matrix_type
FUNCTION dbcsr_get_occupation(matrix) RESULT(occupation)
TYPE(dbcsr_type), INTENT(IN) :: matrix
REAL(KIND=real_8) :: occupation
occupation = dbcsr_get_occupation_prv(matrix%prv)
END FUNCTION dbcsr_get_occupation
FUNCTION dbcsr_nblkrows_total(matrix) RESULT(nblkrows_total)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: nblkrows_total
nblkrows_total = dbcsr_nblkrows_total_prv(matrix%prv)
END FUNCTION dbcsr_nblkrows_total
FUNCTION dbcsr_nblkcols_total(matrix) RESULT(nblkcols_total)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: nblkcols_total
nblkcols_total = dbcsr_nblkcols_total_prv(matrix%prv)
END FUNCTION dbcsr_nblkcols_total
FUNCTION dbcsr_nblkrows_local(matrix) RESULT(nblkrows_local)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: nblkrows_local
nblkrows_local = dbcsr_nblkrows_local_prv(matrix%prv)
END FUNCTION dbcsr_nblkrows_local
FUNCTION dbcsr_nblkcols_local(matrix) RESULT(nblkcols_local)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: nblkcols_local
nblkcols_local = dbcsr_nblkcols_local_prv(matrix%prv)
END FUNCTION dbcsr_nblkcols_local
FUNCTION dbcsr_nfullrows_total(matrix) RESULT(nfullrows_total)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: nfullrows_total
nfullrows_total = dbcsr_nfullrows_total_prv(matrix%prv)
END FUNCTION dbcsr_nfullrows_total
FUNCTION dbcsr_nfullcols_total(matrix) RESULT(nfullcols_total)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER :: nfullcols_total
nfullcols_total = dbcsr_nfullcols_total_prv(matrix%prv)
END FUNCTION dbcsr_nfullcols_total
PURE FUNCTION dbcsr_iterator_blocks_left(iterator) RESULT(blocks_left)
TYPE(dbcsr_iterator_type), INTENT(IN) :: iterator
LOGICAL :: blocks_left
blocks_left = dbcsr_iterator_blocks_left_prv(iterator%prv)
END FUNCTION dbcsr_iterator_blocks_left
SUBROUTINE dbcsr_iterator_stop(iterator)
TYPE(dbcsr_iterator_type), INTENT(INOUT) :: iterator
CALL dbcsr_iterator_stop_prv(iterator%prv)
END SUBROUTINE dbcsr_iterator_stop
SUBROUTINE dbcsr_iterator_start(iterator, matrix, shared, dynamic, &
dynamic_byrows, contiguous_pointers, read_only)
TYPE(dbcsr_iterator_type), INTENT(OUT) :: iterator
TYPE(dbcsr_type), INTENT(IN) :: matrix
LOGICAL, INTENT(IN), OPTIONAL :: shared, dynamic, dynamic_byrows, &
contiguous_pointers, read_only
CALL dbcsr_iterator_start_prv(iterator%prv, matrix%prv, shared, dynamic, &
dynamic_byrows, contiguous_pointers, read_only)
END SUBROUTINE dbcsr_iterator_start
SUBROUTINE dbcsr_iterator_next_block_index(iterator, row, column, blk, blk_p)
!! Gets the index information of the next block, no data.
TYPE(dbcsr_iterator_type), INTENT(INOUT) :: iterator
!! the iterator
INTEGER, INTENT(OUT) :: row, column, blk
!! row of the data block
!! column of the data block
!! block number
INTEGER, INTENT(OUT), OPTIONAL :: blk_p
!! index into block data array
CALL dbcsr_iterator_next_block_prv(iterator%prv, row=row, column=column, blk=blk, blk_p=blk_p)
END SUBROUTINE dbcsr_iterator_next_block_index
SUBROUTINE dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, &
nfullrows_total, nfullcols_total, &
nblkrows_local, nblkcols_local, &
nfullrows_local, nfullcols_local, &
my_prow, my_pcol, &
local_rows, local_cols, proc_row_dist, proc_col_dist, &
row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, &
distribution, name, matrix_type, data_type, &
group)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER, INTENT(OUT), OPTIONAL :: nblkrows_total, nblkcols_total, nfullrows_total, &
nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, &
my_prow, my_pcol
INTEGER, DIMENSION(:), OPTIONAL, POINTER :: local_rows, local_cols, proc_row_dist, &
proc_col_dist, &
row_blk_size, col_blk_size, &
row_blk_offset, col_blk_offset
TYPE(dbcsr_distribution_type), INTENT(OUT), &
OPTIONAL :: distribution
CHARACTER(len=*), INTENT(OUT), OPTIONAL :: name
CHARACTER, INTENT(OUT), OPTIONAL :: matrix_type
INTEGER, INTENT(OUT), OPTIONAL :: data_type, group
TYPE(dbcsr_dist_prv_obj) :: dist
TYPE(mp_comm_type) :: my_group
CALL dbcsr_get_info_prv(matrix=matrix%prv, &
nblkrows_total=nblkrows_total, &
nblkcols_total=nblkcols_total, &
nfullrows_total=nfullrows_total, &
nfullcols_total=nfullcols_total, &
nblkrows_local=nblkrows_local, &
nblkcols_local=nblkcols_local, &
nfullrows_local=nfullrows_local, &
nfullcols_local=nfullcols_local, &
my_prow=my_prow, &
my_pcol=my_pcol, &
local_rows=local_rows, &
local_cols=local_cols, &
proc_row_dist=proc_row_dist, &
proc_col_dist=proc_col_dist, &
row_blk_size=row_blk_size, &
col_blk_size=col_blk_size, &
row_blk_offset=row_blk_offset, &
col_blk_offset=col_blk_offset, &
distribution=dist, &
name=name, &
matrix_type=matrix_type, &
data_type=data_type, &
group=my_group)
IF (PRESENT(distribution)) THEN
distribution%prv = dist
END IF
IF (PRESENT(group)) group = my_group%get_handle()
END SUBROUTINE dbcsr_get_info
SUBROUTINE dbcsr_distribution_get(dist, row_dist, col_dist, &
nrows, ncols, has_threads, &
group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, &
subgroups_defined, prow_group, pcol_group)
TYPE(dbcsr_distribution_type), INTENT(IN) :: dist
INTEGER, DIMENSION(:), OPTIONAL, POINTER :: row_dist, col_dist
INTEGER, INTENT(OUT), OPTIONAL :: nrows, ncols
LOGICAL, INTENT(OUT), OPTIONAL :: has_threads
INTEGER, INTENT(OUT), OPTIONAL :: group, mynode, numnodes, nprows, npcols, &
myprow, mypcol
INTEGER, DIMENSION(:, :), OPTIONAL, POINTER :: pgrid
LOGICAL, INTENT(OUT), OPTIONAL :: subgroups_defined
INTEGER, INTENT(OUT), OPTIONAL :: prow_group, pcol_group
TYPE(mp_comm_type) :: my_group, my_prow_group, my_pcol_group
call dbcsr_distribution_get_prv(dist%prv, row_dist, col_dist, &
nrows, ncols, has_threads, &
my_group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, &
subgroups_defined, my_prow_group, my_pcol_group)
IF (PRESENT(group)) group = my_group%get_handle()
IF (PRESENT(prow_group)) prow_group = my_prow_group%get_handle()
IF (PRESENT(pcol_group)) pcol_group = my_pcol_group%get_handle()
END SUBROUTINE dbcsr_distribution_get
SUBROUTINE dbcsr_distribution_hold(dist)
TYPE(dbcsr_distribution_type) :: dist
CALL dbcsr_distribution_hold_prv(dist%prv)
END SUBROUTINE dbcsr_distribution_hold
SUBROUTINE dbcsr_distribution_release(dist)
TYPE(dbcsr_distribution_type) :: dist
CALL dbcsr_distribution_release_prv(dist%prv)
END SUBROUTINE dbcsr_distribution_release
SUBROUTINE dbcsr_norm_scalar(matrix, which_norm, norm_scalar)
TYPE(dbcsr_type), INTENT(INOUT), TARGET :: matrix
INTEGER, INTENT(IN) :: which_norm
REAL(dp), INTENT(OUT) :: norm_scalar
CALL dbcsr_norm_scalar_prv(matrix%prv, which_norm, norm_scalar)
END SUBROUTINE dbcsr_norm_scalar
SUBROUTINE dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)
TYPE(dbcsr_type), INTENT(INOUT), TARGET :: matrix
INTEGER, INTENT(IN) :: which_norm
REAL(dp), DIMENSION(:), INTENT(OUT) :: norm_vector
CALL dbcsr_norm_r8_vec_prv(matrix%prv, which_norm, norm_vector)
END SUBROUTINE dbcsr_norm_r8_vec
SUBROUTINE dbcsr_replicate_all(matrix)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
CALL dbcsr_replicate_all_prv(matrix%prv)
END SUBROUTINE dbcsr_replicate_all
SUBROUTINE dbcsr_distribute(matrix, fast)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
LOGICAL, INTENT(in), OPTIONAL :: fast
CALL dbcsr_distribute_prv(matrix%prv, fast)
END SUBROUTINE dbcsr_distribute
SUBROUTINE dbcsr_release_p(matrix)
TYPE(dbcsr_type), POINTER :: matrix
IF (ASSOCIATED(matrix)) THEN
CALL dbcsr_release(matrix)
DEALLOCATE (matrix)
END IF
END SUBROUTINE dbcsr_release_p
SUBROUTINE dbcsr_release(matrix)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
CALL dbcsr_release_prv(matrix%prv)
END SUBROUTINE dbcsr_release
SUBROUTINE dbcsr_init_p(matrix)
TYPE(dbcsr_type), POINTER :: matrix
IF (ASSOCIATED(matrix)) THEN
CALL dbcsr_release(matrix)
DEALLOCATE (matrix)
END IF
ALLOCATE (matrix)
END SUBROUTINE dbcsr_init_p
SUBROUTINE dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr)
TYPE(dbcsr_type), INTENT(IN) :: matrix
LOGICAL, INTENT(IN), OPTIONAL :: nodata, matlab_format
CHARACTER(*), INTENT(in), OPTIONAL :: variable_name
INTEGER, OPTIONAL :: unit_nr
CALL dbcsr_print_prv(matrix%prv, nodata, matlab_format, variable_name, unit_nr)
END SUBROUTINE dbcsr_print
SUBROUTINE dbcsr_print_block_sum(matrix, unit_nr)
!! Prints the sum of the elements in each block
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER, OPTIONAL :: unit_nr
CALL dbcsr_print_block_sum_prv(matrix%prv, unit_nr)
END SUBROUTINE dbcsr_print_block_sum
FUNCTION dbcsr_checksum(matrix, local, pos) RESULT(checksum)
TYPE(dbcsr_type), INTENT(IN) :: matrix
LOGICAL, INTENT(IN), OPTIONAL :: local, pos
REAL(KIND=dp) :: checksum
checksum = dbcsr_checksum_prv(matrix%prv, local=local, pos=pos)
END FUNCTION dbcsr_checksum
SUBROUTINE dbcsr_sum_replicated(matrix)
TYPE(dbcsr_type), INTENT(inout) :: matrix
CALL dbcsr_sum_replicated_prv(matrix%prv)
END SUBROUTINE dbcsr_sum_replicated
SUBROUTINE dbcsr_triu(matrix)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
CALL dbcsr_triu_prv(matrix%prv)
END SUBROUTINE dbcsr_triu
SUBROUTINE dbcsr_verify_matrix(matrix, verbosity, local)
TYPE(dbcsr_type), INTENT(IN) :: matrix
INTEGER, INTENT(IN), OPTIONAL :: verbosity
LOGICAL, INTENT(IN), OPTIONAL :: local
CALL dbcsr_verify_matrix_prv(matrix%prv, verbosity, local)
END SUBROUTINE dbcsr_verify_matrix
SUBROUTINE dbcsr_distribution_new(dist, template, group, pgrid, row_dist, col_dist, &
reuse_arrays)
!! Creates new distribution from blockr distributions
TYPE(dbcsr_distribution_type), INTENT(OUT) :: dist
!! distribution
TYPE(dbcsr_distribution_type), INTENT(IN), &
OPTIONAL :: template
INTEGER, INTENT(IN), OPTIONAL :: group
INTEGER, DIMENSION(:, :), OPTIONAL, POINTER :: pgrid
INTEGER, DIMENSION(:), INTENT(INOUT), POINTER :: row_dist, col_dist
LOGICAL, INTENT(IN), OPTIONAL :: reuse_arrays
INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: cont_row_dist, cont_col_dist
TYPE(mp_comm_type) :: my_mp_group
! Make the arrays contiguous, avoid change in the API
ALLOCATE (cont_row_dist(SIZE(row_dist)), cont_col_dist(SIZE(col_dist)))
cont_row_dist(:) = row_dist(:)
cont_col_dist(:) = col_dist(:)
IF (PRESENT(reuse_arrays)) THEN
IF (reuse_arrays) THEN
DEALLOCATE (row_dist, col_dist)
NULLIFY (row_dist, col_dist)
END IF
END IF
IF (PRESENT(group)) THEN
CALL my_mp_group%set_handle(group)
IF (PRESENT(template)) THEN
call dbcsr_distribution_new_prv(dist%prv, template%prv, my_mp_group, pgrid, cont_row_dist, cont_col_dist, &
reuse_arrays=.TRUE.)
ELSE
call dbcsr_distribution_new_prv(dist%prv, group=my_mp_group, pgrid=pgrid, &
row_dist=cont_row_dist, col_dist=cont_col_dist, &
reuse_arrays=.TRUE.)
END IF
ELSE
IF (PRESENT(template)) THEN
call dbcsr_distribution_new_prv(dist%prv, template%prv, pgrid=pgrid, row_dist=cont_row_dist, col_dist=cont_col_dist, &
reuse_arrays=.TRUE.)
ELSE
call dbcsr_distribution_new_prv(dist%prv, pgrid=pgrid, &
row_dist=cont_row_dist, col_dist=cont_col_dist, &
reuse_arrays=.TRUE.)
END IF
END IF
END SUBROUTINE dbcsr_distribution_new
SUBROUTINE dbcsr_print_statistics(print_timers, callgraph_filename)
!! Print statistics
LOGICAL, INTENT(IN), OPTIONAL :: print_timers
CHARACTER(len=*), INTENT(IN), OPTIONAL :: callgraph_filename
CALL dbcsr_print_statistics_prv(print_timers, callgraph_filename)
END SUBROUTINE dbcsr_print_statistics
SUBROUTINE dbcsr_finalize(matrix, reshuffle)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
LOGICAL, INTENT(IN), OPTIONAL :: reshuffle
CALL dbcsr_finalize_prv(matrix%prv, reshuffle)
END SUBROUTINE dbcsr_finalize
SUBROUTINE dbcsr_work_create(matrix, nblks_guess, sizedata_guess, n, work_mutable)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
INTEGER, INTENT(IN), OPTIONAL :: nblks_guess, sizedata_guess, n
LOGICAL, INTENT(in), OPTIONAL :: work_mutable
CALL dbcsr_work_create_prv(matrix%prv, nblks_guess, sizedata_guess, n, work_mutable)
END SUBROUTINE dbcsr_work_create
SUBROUTINE dbcsr_create_new(matrix, name, dist, matrix_type, &
row_blk_size, col_blk_size, nze, data_type, reuse, &
reuse_arrays, mutable_work, replication_type)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
CHARACTER(len=*), INTENT(IN) :: name
TYPE(dbcsr_distribution_type), INTENT(IN) :: dist
CHARACTER, INTENT(IN) :: matrix_type
INTEGER, DIMENSION(:), INTENT(INOUT), POINTER :: row_blk_size, col_blk_size
INTEGER, INTENT(IN), OPTIONAL :: nze, data_type
LOGICAL, INTENT(IN), OPTIONAL :: reuse, reuse_arrays, mutable_work
CHARACTER, INTENT(IN), OPTIONAL :: replication_type
INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: cont_row_blk_size, cont_col_blk_size
! Make the array contiguous, avoid to change API
ALLOCATE (cont_row_blk_size(SIZE(row_blk_size)), cont_col_blk_size(SIZE(col_blk_size)))
cont_row_blk_size(:) = row_blk_size(:)
cont_col_blk_size(:) = col_blk_size(:)
IF (PRESENT(reuse_arrays)) THEN
IF (reuse_arrays) THEN
DEALLOCATE (row_blk_size, col_blk_size)
NULLIFY (row_blk_size, col_blk_size)
END IF
END IF
CALL dbcsr_create_prv(matrix%prv, name, dist%prv, &
matrix_type, &
cont_row_blk_size, cont_col_blk_size, nze=nze, &
data_type=data_type, reuse=reuse, &
reuse_arrays=.TRUE., &
mutable_work=mutable_work, replication_type=replication_type)
END SUBROUTINE dbcsr_create_new
SUBROUTINE dbcsr_create_template(matrix, name, template, &
dist, matrix_type, &
row_blk_size, col_blk_size, nze, data_type, &
reuse_arrays, mutable_work, replication_type)
TYPE(dbcsr_type), INTENT(INOUT) :: matrix
CHARACTER(len=*), INTENT(IN), OPTIONAL :: name
TYPE(dbcsr_type), INTENT(IN) :: template
TYPE(dbcsr_distribution_type), INTENT(IN), &
OPTIONAL :: dist
CHARACTER, INTENT(IN), OPTIONAL :: matrix_type
INTEGER, DIMENSION(:), INTENT(INOUT), OPTIONAL, &
POINTER :: row_blk_size, col_blk_size
INTEGER, INTENT(IN), OPTIONAL :: nze, data_type
LOGICAL, INTENT(IN), OPTIONAL :: reuse_arrays, mutable_work
CHARACTER, INTENT(IN), OPTIONAL :: replication_type
INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: cont_row_blk_size, cont_col_blk_size
IF (PRESENT(row_blk_size) .NEQV. PRESENT(col_blk_size)) THEN
DBCSR_ABORT("Both row_blk_size and col_blk_size must be provided!")
END IF
! Make the array contiguous, avoid to change API
IF (PRESENT(row_blk_size)) THEN
! Avoid to change API
ALLOCATE (cont_row_blk_size(SIZE(row_blk_size)), cont_col_blk_size(SIZE(col_blk_size)))
cont_row_blk_size(:) = row_blk_size(:)
cont_col_blk_size(:) = col_blk_size(:)
IF (PRESENT(reuse_arrays)) THEN
IF (reuse_arrays) THEN
DEALLOCATE (row_blk_size, col_blk_size)
NULLIFY (row_blk_size, col_blk_size)
END IF
END IF
END IF
IF (PRESENT(dist)) THEN
IF (PRESENT(row_blk_size)) THEN
CALL dbcsr_create_prv(matrix%prv, template%prv, name, &
dist%prv, matrix_type, &
row_blk_size=cont_row_blk_size, col_blk_size=cont_col_blk_size, &
nze=nze, data_type=data_type, &
reuse_arrays=.TRUE., mutable_work=mutable_work, &
replication_type=replication_type)
ELSE
CALL dbcsr_create_prv(matrix%prv, template%prv, name, &
dist%prv, matrix_type, &
nze=nze, data_type=data_type, &