dbcsr_api Module

  1. dbcsr_api.F
  2. 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.


Uses


Contents

Variables

Interfaces

Derived Types

Functions

Subroutines

dbcsr_mp_grid_setup dbcsr_setname dbcsr_complete_redistribute dbcsr_reserve_blocks dbcsr_reserve_all_blocks dbcsr_reserve_diag_blocks dbcsr_add_work_coordinate dbcsr_set_work_size dbcsr_init_random dbcsr_get_stored_coordinates dbcsr_iterator_stop dbcsr_iterator_start dbcsr_iterator_next_block_index dbcsr_get_info dbcsr_distribution_get dbcsr_distribution_hold dbcsr_distribution_release dbcsr_norm_scalar dbcsr_norm_r8_vec dbcsr_replicate_all dbcsr_distribute dbcsr_release_p dbcsr_release dbcsr_init_p dbcsr_print dbcsr_print_block_sum dbcsr_sum_replicated dbcsr_triu dbcsr_verify_matrix dbcsr_distribution_new dbcsr_print_statistics dbcsr_finalize dbcsr_work_create dbcsr_create_new dbcsr_create_template dbcsr_filter dbcsr_get_block_diag dbcsr_binary_write dbcsr_binary_read dbcsr_copy dbcsr_copy_into_existing dbcsr_desymmetrize dbcsr_transposed dbcsr_function_of_elements dbcsr_hadamard_product dbcsr_deallocate_matrix dbcsr_csr_create_from_dbcsr dbcsr_convert_csr_to_dbcsr dbcsr_convert_dbcsr_to_csr dbcsr_to_csr_filter dbcsr_clear dbcsr_add_block_node dbcsr_reserve_block2d_d dbcsr_iterator_next_2d_block_d dbcsr_iterator_next_2d_block_notrans_d dbcsr_iterator_next_1d_block_d dbcsr_iterator_next_1d_block_notrans_d dbcsr_put_block2d_d dbcsr_put_block_d dbcsr_get_2d_block_p_d dbcsr_get_2d_block_notrans_p_d dbcsr_get_block_p_d dbcsr_get_block_notrans_p_d dbcsr_trace_d dbcsr_dot_d dbcsr_multiply_d dbcsr_scale_by_vector_d dbcsr_scale_d dbcsr_set_d dbcsr_add_d dbcsr_add_on_diag_d dbcsr_set_diag_d dbcsr_get_diag_d dbcsr_reserve_block2d_s dbcsr_iterator_next_2d_block_s dbcsr_iterator_next_2d_block_notrans_s dbcsr_iterator_next_1d_block_s dbcsr_iterator_next_1d_block_notrans_s dbcsr_put_block2d_s dbcsr_put_block_s dbcsr_get_2d_block_p_s dbcsr_get_2d_block_notrans_p_s dbcsr_get_block_p_s dbcsr_get_block_notrans_p_s dbcsr_trace_s dbcsr_dot_s dbcsr_multiply_s dbcsr_scale_by_vector_s dbcsr_scale_s dbcsr_set_s dbcsr_add_s dbcsr_add_on_diag_s dbcsr_set_diag_s dbcsr_get_diag_s dbcsr_reserve_block2d_z dbcsr_iterator_next_2d_block_z dbcsr_iterator_next_2d_block_notrans_z dbcsr_iterator_next_1d_block_z dbcsr_iterator_next_1d_block_notrans_z dbcsr_put_block2d_z dbcsr_put_block_z dbcsr_get_2d_block_p_z dbcsr_get_2d_block_notrans_p_z dbcsr_get_block_p_z dbcsr_get_block_notrans_p_z dbcsr_trace_z dbcsr_dot_z dbcsr_multiply_z dbcsr_scale_by_vector_z dbcsr_scale_z dbcsr_set_z dbcsr_add_z dbcsr_add_on_diag_z dbcsr_set_diag_z dbcsr_get_diag_z dbcsr_reserve_block2d_c dbcsr_iterator_next_2d_block_c dbcsr_iterator_next_2d_block_notrans_c dbcsr_iterator_next_1d_block_c dbcsr_iterator_next_1d_block_notrans_c dbcsr_put_block2d_c dbcsr_put_block_c dbcsr_get_2d_block_p_c dbcsr_get_2d_block_notrans_p_c dbcsr_get_block_p_c dbcsr_get_block_notrans_p_c dbcsr_trace_c dbcsr_dot_c dbcsr_multiply_c dbcsr_scale_by_vector_c dbcsr_scale_c dbcsr_set_c dbcsr_add_c dbcsr_add_on_diag_c dbcsr_set_diag_c dbcsr_get_diag_c

Variables

TypeVisibilityAttributesNameInitial
character(len=*), private, parameter:: moduleN ='dbcsr_api'

Interfaces

public interface dbcsr_create

  • private 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)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    character(len=*), intent(in) :: name
    type(dbcsr_distribution_type), intent(in) :: dist
    character, intent(in) :: matrix_type
    integer, intent(inout), DIMENSION(:), POINTER:: row_blk_size
    integer, intent(inout), DIMENSION(:), POINTER:: col_blk_size
    integer, intent(in), optional :: nze
    integer, intent(in), optional :: data_type
    logical, intent(in), optional :: reuse
    logical, intent(in), optional :: reuse_arrays
    logical, intent(in), optional :: mutable_work
    character, intent(in), optional :: replication_type

  • private 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)

    Arguments

    TypeIntentOptionalAttributesName
    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, intent(inout), optional DIMENSION(:), POINTER:: row_blk_size
    integer, intent(inout), optional DIMENSION(:), POINTER:: col_blk_size
    integer, intent(in), optional :: nze
    integer, intent(in), optional :: data_type
    logical, intent(in), optional :: reuse_arrays
    logical, intent(in), optional :: mutable_work
    character, intent(in), optional :: replication_type

public interface dbcsr_trace

  • private subroutine dbcsr_trace_d(matrix_a, trace)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix_a
    real(kind=real_8), intent(out) :: trace

  • private subroutine dbcsr_trace_s(matrix_a, trace)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix_a
    real(kind=real_4), intent(out) :: trace

  • private subroutine dbcsr_trace_z(matrix_a, trace)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix_a
    complex(kind=real_8), intent(out) :: trace

  • private subroutine dbcsr_trace_c(matrix_a, trace)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix_a
    complex(kind=real_4), intent(out) :: trace

public interface dbcsr_dot

  • private subroutine dbcsr_dot_d(matrix_a, matrix_b, result)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    real(kind=real_8), intent(inout) :: result

  • private subroutine dbcsr_dot_s(matrix_a, matrix_b, result)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    real(kind=real_4), intent(inout) :: result

  • private subroutine dbcsr_dot_z(matrix_a, matrix_b, result)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    complex(kind=real_8), intent(inout) :: result

  • private subroutine dbcsr_dot_c(matrix_a, matrix_b, result)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    complex(kind=real_4), intent(inout) :: result

public interface dbcsr_set

  • private subroutine dbcsr_set_d(matrix, alpha)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    real(kind=real_8), intent(in) :: alpha

  • private subroutine dbcsr_set_s(matrix, alpha)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    real(kind=real_4), intent(in) :: alpha

  • private subroutine dbcsr_set_c(matrix, alpha)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    complex(kind=real_4), intent(in) :: alpha

  • private subroutine dbcsr_set_z(matrix, alpha)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    complex(kind=real_8), intent(in) :: alpha

public interface dbcsr_add

  • private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    real(kind=real_8), intent(in) :: alpha_scalar
    real(kind=real_8), intent(in) :: beta_scalar

  • private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    real(kind=real_4), intent(in) :: alpha_scalar
    real(kind=real_4), intent(in) :: beta_scalar

  • private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    complex(kind=real_4), intent(in) :: alpha_scalar
    complex(kind=real_4), intent(in) :: beta_scalar

  • private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    complex(kind=real_8), intent(in) :: alpha_scalar
    complex(kind=real_8), intent(in) :: beta_scalar

public interface dbcsr_add_on_diag

  • private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    real(kind=real_8), intent(in) :: alpha_scalar

  • private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    real(kind=real_4), intent(in) :: alpha_scalar

  • private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    complex(kind=real_4), intent(in) :: alpha_scalar

  • private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    complex(kind=real_8), intent(in) :: alpha_scalar

public interface dbcsr_get_diag

  • private subroutine dbcsr_get_diag_d(matrix, diag)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    real(kind=real_8), intent(out), DIMENSION(:):: diag

  • private subroutine dbcsr_get_diag_s(matrix, diag)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    real(kind=real_4), intent(out), DIMENSION(:):: diag

  • private subroutine dbcsr_get_diag_c(matrix, diag)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    complex(kind=real_4), intent(out), DIMENSION(:):: diag

  • private subroutine dbcsr_get_diag_z(matrix, diag)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    complex(kind=real_8), intent(out), DIMENSION(:):: diag

public interface dbcsr_set_diag

  • private subroutine dbcsr_set_diag_d(matrix, diag)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    real(kind=real_8), intent(in), DIMENSION(:):: diag

  • private subroutine dbcsr_set_diag_s(matrix, diag)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    real(kind=real_4), intent(in), DIMENSION(:):: diag

  • private subroutine dbcsr_set_diag_c(matrix, diag)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    complex(kind=real_4), intent(in), DIMENSION(:):: diag

  • private subroutine dbcsr_set_diag_z(matrix, diag)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    complex(kind=real_8), intent(in), DIMENSION(:):: diag

public interface dbcsr_scale

  • private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    real(kind=real_8), intent(in) :: alpha_scalar
    integer, intent(in), optional :: last_column

  • private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    real(kind=real_4), intent(in) :: alpha_scalar
    integer, intent(in), optional :: last_column

  • private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    complex(kind=real_4), intent(in) :: alpha_scalar
    integer, intent(in), optional :: last_column

  • private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    complex(kind=real_8), intent(in) :: alpha_scalar
    integer, intent(in), optional :: last_column

public interface dbcsr_scale_by_vector

  • private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    real(kind=real_8), intent(in), DIMENSION(:), TARGET:: alpha
    character(len=*), intent(in) :: side

  • private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    real(kind=real_4), intent(in), DIMENSION(:), TARGET:: alpha
    character(len=*), intent(in) :: side

  • private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    complex(kind=real_4), intent(in), DIMENSION(:), TARGET:: alpha
    character(len=*), intent(in) :: side

  • private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix_a
    complex(kind=real_8), intent(in), DIMENSION(:), TARGET:: alpha
    character(len=*), intent(in) :: side

public interface dbcsr_multiply

  • private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    Arguments

    TypeIntentOptionalAttributesName
    character(len=1), intent(in) :: transa
    character(len=1), intent(in) :: transb
    real(kind=real_8), intent(in) :: alpha
    type(dbcsr_type), intent(in) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    real(kind=real_8), intent(in) :: beta
    type(dbcsr_type), intent(inout) :: matrix_c
    integer, intent(in), optional :: first_row
    integer, intent(in), optional :: last_row
    integer, intent(in), optional :: first_column
    integer, intent(in), optional :: last_column
    integer, intent(in), optional :: first_k
    integer, intent(in), optional :: last_k
    logical, intent(in), optional :: retain_sparsity
    real(kind=real_8), intent(in), optional :: filter_eps
    integer(kind=int_8), intent(out), optional :: flop

  • private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    Arguments

    TypeIntentOptionalAttributesName
    character(len=1), intent(in) :: transa
    character(len=1), intent(in) :: transb
    real(kind=real_4), intent(in) :: alpha
    type(dbcsr_type), intent(in) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    real(kind=real_4), intent(in) :: beta
    type(dbcsr_type), intent(inout) :: matrix_c
    integer, intent(in), optional :: first_row
    integer, intent(in), optional :: last_row
    integer, intent(in), optional :: first_column
    integer, intent(in), optional :: last_column
    integer, intent(in), optional :: first_k
    integer, intent(in), optional :: last_k
    logical, intent(in), optional :: retain_sparsity
    real(kind=real_8), intent(in), optional :: filter_eps
    integer(kind=int_8), intent(out), optional :: flop

  • private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    Arguments

    TypeIntentOptionalAttributesName
    character(len=1), intent(in) :: transa
    character(len=1), intent(in) :: transb
    complex(kind=real_4), intent(in) :: alpha
    type(dbcsr_type), intent(in) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    complex(kind=real_4), intent(in) :: beta
    type(dbcsr_type), intent(inout) :: matrix_c
    integer, intent(in), optional :: first_row
    integer, intent(in), optional :: last_row
    integer, intent(in), optional :: first_column
    integer, intent(in), optional :: last_column
    integer, intent(in), optional :: first_k
    integer, intent(in), optional :: last_k
    logical, intent(in), optional :: retain_sparsity
    real(kind=real_8), intent(in), optional :: filter_eps
    integer(kind=int_8), intent(out), optional :: flop

  • private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    Arguments

    TypeIntentOptionalAttributesName
    character(len=1), intent(in) :: transa
    character(len=1), intent(in) :: transb
    complex(kind=real_8), intent(in) :: alpha
    type(dbcsr_type), intent(in) :: matrix_a
    type(dbcsr_type), intent(in) :: matrix_b
    complex(kind=real_8), intent(in) :: beta
    type(dbcsr_type), intent(inout) :: matrix_c
    integer, intent(in), optional :: first_row
    integer, intent(in), optional :: last_row
    integer, intent(in), optional :: first_column
    integer, intent(in), optional :: last_column
    integer, intent(in), optional :: first_k
    integer, intent(in), optional :: last_k
    logical, intent(in), optional :: retain_sparsity
    real(kind=real_8), intent(in), optional :: filter_eps
    integer(kind=int_8), intent(out), optional :: flop

public interface dbcsr_get_block_p

  • private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_8), DIMENSION(:), POINTER:: block
    logical, intent(out) :: tr
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_4), DIMENSION(:), POINTER:: block
    logical, intent(out) :: tr
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_8), DIMENSION(:), POINTER:: block
    logical, intent(out) :: tr
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_4), DIMENSION(:), POINTER:: block
    logical, intent(out) :: tr
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_8), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: tr
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_4), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: tr
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_8), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: tr
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_4), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: tr
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_8), DIMENSION(:), POINTER:: block
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_4), DIMENSION(:), POINTER:: block
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_8), DIMENSION(:), POINTER:: block
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_4), DIMENSION(:), POINTER:: block
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_2d_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_8), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_2d_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_4), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_2d_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_8), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

  • private subroutine dbcsr_get_2d_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_4), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: found
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size

public interface dbcsr_put_block

  • private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_8), intent(in), DIMENSION(:):: block
    logical, intent(in), optional :: summation
    real(kind=real_8), intent(in), optional :: scale

  • private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_4), intent(in), DIMENSION(:):: block
    logical, intent(in), optional :: summation
    real(kind=real_4), intent(in), optional :: scale

  • private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_8), intent(in), DIMENSION(:):: block
    logical, intent(in), optional :: summation
    complex(kind=real_8), intent(in), optional :: scale

  • private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_4), intent(in), DIMENSION(:):: block
    logical, intent(in), optional :: summation
    complex(kind=real_4), intent(in), optional :: scale

  • private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_8), intent(in), DIMENSION(:, :):: block
    logical, intent(in), optional :: summation
    real(kind=real_8), intent(in), optional :: scale

  • private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_4), intent(in), DIMENSION(:, :):: block
    logical, intent(in), optional :: summation
    real(kind=real_4), intent(in), optional :: scale

  • private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_8), intent(in), DIMENSION(:, :):: block
    logical, intent(in), optional :: summation
    complex(kind=real_8), intent(in), optional :: scale

  • private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_4), intent(in), DIMENSION(:, :):: block
    logical, intent(in), optional :: summation
    complex(kind=real_4), intent(in), optional :: scale

public interface dbcsr_iterator_next_block

  • private subroutine dbcsr_iterator_next_block_index(iterator, row, column, blk, blk_p)

    Gets the index information of the next block, no data.

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator

    the iterator
    integer, intent(out) :: row

    row of the data block column of the data block block number
    integer, intent(out) :: column

    row of the data block column of the data block block number
    integer, intent(out) :: blk

    row of the data block column of the data block block number
    integer, intent(out), optional :: blk_p

    index into block data array

  • private subroutine dbcsr_iterator_next_2d_block_d(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    real(kind=real_8), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: transposed
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_2d_block_s(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    real(kind=real_4), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: transposed
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_2d_block_c(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    complex(kind=real_4), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: transposed
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_2d_block_z(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    complex(kind=real_8), DIMENSION(:, :), POINTER:: block
    logical, intent(out) :: transposed
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_1d_block_d(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    real(kind=real_8), DIMENSION(:), POINTER:: block
    logical, intent(out) :: transposed
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_1d_block_s(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    real(kind=real_4), DIMENSION(:), POINTER:: block
    logical, intent(out) :: transposed
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_1d_block_c(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    complex(kind=real_4), DIMENSION(:), POINTER:: block
    logical, intent(out) :: transposed
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_1d_block_z(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    complex(kind=real_8), DIMENSION(:), POINTER:: block
    logical, intent(out) :: transposed
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_2d_block_notrans_d(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    real(kind=real_8), DIMENSION(:, :), POINTER:: block
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_2d_block_notrans_s(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    real(kind=real_4), DIMENSION(:, :), POINTER:: block
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_2d_block_notrans_c(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    complex(kind=real_4), DIMENSION(:, :), POINTER:: block
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_2d_block_notrans_z(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    complex(kind=real_8), DIMENSION(:, :), POINTER:: block
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_1d_block_notrans_d(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    real(kind=real_8), DIMENSION(:), POINTER:: block
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_1d_block_notrans_s(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    real(kind=real_4), DIMENSION(:), POINTER:: block
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_1d_block_notrans_c(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    complex(kind=real_4), DIMENSION(:), POINTER:: block
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

  • private subroutine dbcsr_iterator_next_1d_block_notrans_z(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_iterator_type), intent(inout) :: iterator
    integer, intent(out) :: row
    integer, intent(out) :: column
    complex(kind=real_8), DIMENSION(:), POINTER:: block
    integer, intent(out), optional :: block_number
    integer, intent(out), optional :: row_size
    integer, intent(out), optional :: col_size
    integer, intent(out), optional :: row_offset
    integer, intent(out), optional :: col_offset

public interface dbcsr_reserve_block2d

  • private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_8), DIMENSION(:, :), POINTER:: block
    logical, intent(in), optional :: transposed
    logical, intent(out), optional :: existed

  • private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    real(kind=real_4), DIMENSION(:, :), POINTER:: block
    logical, intent(in), optional :: transposed
    logical, intent(out), optional :: existed

  • private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_4), DIMENSION(:, :), POINTER:: block
    logical, intent(in), optional :: transposed
    logical, intent(out), optional :: existed

  • private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout) :: matrix
    integer, intent(in) :: row
    integer, intent(in) :: col
    complex(kind=real_8), DIMENSION(:, :), POINTER:: block
    logical, intent(in), optional :: transposed
    logical, intent(out), optional :: existed

public interface dbcsr_csr_create

  • public subroutine csr_create_new(csr_mat, nrows_total, ncols_total, nze_total, nze_local, nrows_local, mp_group, data_type)

    Create a new CSR matrix and allocate all internal data (excluding dbcsr_mapping)

    Arguments

    TypeIntentOptionalAttributesName
    type(csr_type), intent(out) :: csr_mat

    CSR matrix to return
    integer, intent(in) :: nrows_total

    total number of rows total number of columns
    integer, intent(in) :: ncols_total

    total number of rows total number of columns
    integer(kind=int_8) :: nze_total

    total number of non-zero elements
    integer, intent(in) :: nze_local

    local number of non-zero elements local number of rows
    integer, intent(in) :: nrows_local

    local number of non-zero elements local number of rows
    integer, intent(in) :: mp_group

    local number of non-zero elements local number of rows
    integer, intent(in), optional :: data_type

    data type of the CSR matrix (default real double prec.)

  • public subroutine csr_create_template(matrix_b, matrix_a)

    Create a new CSR matrix and allocate all internal data using an existing CSR matrix. Copies the indices but no actual matrix data.

    Arguments

    TypeIntentOptionalAttributesName
    type(csr_type), intent(out) :: matrix_b

    Target CSR matrix
    type(csr_type), intent(in) :: matrix_a

    Source CSR matrix

public interface dbcsr_get_wms_data_p

  • private function dbcsr_get_wms_data_s(matrix, index_matrix, select_data_type, lb, ub) result(DATA)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: index_matrix
    real(kind=real_4), intent(in) :: select_data_type
    integer, intent(in), optional :: lb
    integer, intent(in), optional :: ub

    Return Value real(kind=real_4),DIMENSION(:), POINTER

  • private function dbcsr_get_wms_data_c(matrix, index_matrix, select_data_type, lb, ub) result(DATA)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: index_matrix
    complex(kind=real_4), intent(in) :: select_data_type
    integer, intent(in), optional :: lb
    integer, intent(in), optional :: ub

    Return Value complex(kind=real_4),DIMENSION(:), POINTER

  • private function dbcsr_get_wms_data_d(matrix, index_matrix, select_data_type, lb, ub) result(DATA)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: index_matrix
    real(kind=real_8), intent(in) :: select_data_type
    integer, intent(in), optional :: lb
    integer, intent(in), optional :: ub

    Return Value real(kind=real_8),DIMENSION(:), POINTER

  • private function dbcsr_get_wms_data_z(matrix, index_matrix, select_data_type, lb, ub) result(DATA)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    integer, intent(in) :: index_matrix
    complex(kind=real_8), intent(in) :: select_data_type
    integer, intent(in), optional :: lb
    integer, intent(in), optional :: ub

    Return Value complex(kind=real_8),DIMENSION(:), POINTER

public interface dbcsr_get_data_p

  • private function dbcsr_get_data_s(matrix, select_data_type, lb, ub) result(DATA)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    real(kind=real_4), intent(in) :: select_data_type
    integer, intent(in), optional :: lb
    integer, intent(in), optional :: ub

    Return Value real(kind=real_4),DIMENSION(:), POINTER

  • private function dbcsr_get_data_c(matrix, select_data_type, lb, ub) result(DATA)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    complex(kind=real_4), intent(in) :: select_data_type
    integer, intent(in), optional :: lb
    integer, intent(in), optional :: ub

    Return Value complex(kind=real_4),DIMENSION(:), POINTER

  • private function dbcsr_get_data_d(matrix, select_data_type, lb, ub) result(DATA)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    real(kind=real_8), intent(in) :: select_data_type
    integer, intent(in), optional :: lb
    integer, intent(in), optional :: ub

    Return Value real(kind=real_8),DIMENSION(:), POINTER

  • private function dbcsr_get_data_z(matrix, select_data_type, lb, ub) result(DATA)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(in) :: matrix
    complex(kind=real_8), intent(in) :: select_data_type
    integer, intent(in), optional :: lb
    integer, intent(in), optional :: ub

    Return Value complex(kind=real_8),DIMENSION(:), POINTER

public interface dbcsr_norm

  • private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout), TARGET:: matrix
    integer, intent(in) :: which_norm
    real(kind=dp), intent(out) :: norm_scalar

  • private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)

    Arguments

    TypeIntentOptionalAttributesName
    type(dbcsr_type), intent(inout), TARGET:: matrix
    integer, intent(in) :: which_norm
    real(kind=dp), intent(out), DIMENSION(:):: norm_vector

Derived Types

type, public :: dbcsr_p_type

Components

TypeVisibilityAttributesNameInitial
type(dbcsr_type), public, POINTER:: matrix=> Null()

type, public :: dbcsr_type

Components

TypeVisibilityAttributesNameInitial
type(dbcsr_type), private :: prv

type, public :: dbcsr_distribution_type

Components

TypeVisibilityAttributesNameInitial
type(dbcsr_distribution_obj), private :: prv

type, public :: dbcsr_iterator_type

Components

TypeVisibilityAttributesNameInitial
type(dbcsr_iterator), private :: prv

Functions

public function dbcsr_gershgorin_norm(matrix) result(norm)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

Return Value real(kind=real_8)

public function dbcsr_frobenius_norm(matrix, local) result(norm)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
logical, intent(in), optional :: local

Return Value real(kind=real_8)

public function dbcsr_maxabs(matrix) result(norm)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

Return Value real(kind=real_8)

public pure function dbcsr_get_data_type(matrix) result(data_type)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public pure function dbcsr_valid_index(matrix) result(valid_index)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value logical

public pure function dbcsr_get_num_blocks(matrix) result(num_blocks)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public function dbcsr_get_data_size(matrix) result(data_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public pure function dbcsr_get_matrix_type(matrix) result(matrix_type)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value character

public function dbcsr_get_occupation(matrix) result(occupation)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value real(kind=real_8)

public function dbcsr_nblkrows_total(matrix) result(nblkrows_total)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public function dbcsr_nblkcols_total(matrix) result(nblkcols_total)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public function dbcsr_nblkrows_local(matrix) result(nblkrows_local)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public function dbcsr_nblkcols_local(matrix) result(nblkcols_local)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public function dbcsr_nfullrows_total(matrix) result(nfullrows_total)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public function dbcsr_nfullcols_total(matrix) result(nfullcols_total)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value integer

public pure function dbcsr_iterator_blocks_left(iterator) result(blocks_left)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(in) :: iterator

Return Value logical

public function dbcsr_checksum(matrix, local, pos) result(checksum)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
logical, intent(in), optional :: local
logical, intent(in), optional :: pos

Return Value real(kind=dp)

public pure function dbcsr_has_symmetry(matrix) result(has_symmetry)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix

Return Value logical

private function dbcsr_get_wms_data_d(matrix, index_matrix, select_data_type, lb, ub) result(DATA)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: index_matrix
real(kind=real_8), intent(in) :: select_data_type
integer, intent(in), optional :: lb
integer, intent(in), optional :: ub

Return Value real(kind=real_8),DIMENSION(:), POINTER

private function dbcsr_get_data_d(matrix, select_data_type, lb, ub) result(DATA)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
real(kind=real_8), intent(in) :: select_data_type
integer, intent(in), optional :: lb
integer, intent(in), optional :: ub

Return Value real(kind=real_8),DIMENSION(:), POINTER

private function dbcsr_get_wms_data_s(matrix, index_matrix, select_data_type, lb, ub) result(DATA)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: index_matrix
real(kind=real_4), intent(in) :: select_data_type
integer, intent(in), optional :: lb
integer, intent(in), optional :: ub

Return Value real(kind=real_4),DIMENSION(:), POINTER

private function dbcsr_get_data_s(matrix, select_data_type, lb, ub) result(DATA)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
real(kind=real_4), intent(in) :: select_data_type
integer, intent(in), optional :: lb
integer, intent(in), optional :: ub

Return Value real(kind=real_4),DIMENSION(:), POINTER

private function dbcsr_get_wms_data_z(matrix, index_matrix, select_data_type, lb, ub) result(DATA)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: index_matrix
complex(kind=real_8), intent(in) :: select_data_type
integer, intent(in), optional :: lb
integer, intent(in), optional :: ub

Return Value complex(kind=real_8),DIMENSION(:), POINTER

private function dbcsr_get_data_z(matrix, select_data_type, lb, ub) result(DATA)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
complex(kind=real_8), intent(in) :: select_data_type
integer, intent(in), optional :: lb
integer, intent(in), optional :: ub

Return Value complex(kind=real_8),DIMENSION(:), POINTER

private function dbcsr_get_wms_data_c(matrix, index_matrix, select_data_type, lb, ub) result(DATA)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: index_matrix
complex(kind=real_4), intent(in) :: select_data_type
integer, intent(in), optional :: lb
integer, intent(in), optional :: ub

Return Value complex(kind=real_4),DIMENSION(:), POINTER

private function dbcsr_get_data_c(matrix, select_data_type, lb, ub) result(DATA)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
complex(kind=real_4), intent(in) :: select_data_type
integer, intent(in), optional :: lb
integer, intent(in), optional :: ub

Return Value complex(kind=real_4),DIMENSION(:), POINTER


Subroutines

public subroutine dbcsr_mp_grid_setup(dist)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_distribution_type), intent(inout) :: dist

public subroutine dbcsr_setname(matrix, newname)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
character(len=*), intent(in) :: newname

public subroutine dbcsr_complete_redistribute(matrix, redist, keep_sparsity, summation)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
type(dbcsr_type), intent(inout) :: redist
logical, intent(in), optional :: keep_sparsity
logical, intent(in), optional :: summation

public subroutine dbcsr_reserve_blocks(matrix, rows, cols, blk_pointers)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in), DIMENSION(:):: rows
integer, intent(in), DIMENSION(:):: cols
integer, intent(in), optional DIMENSION(:):: blk_pointers

public subroutine dbcsr_reserve_all_blocks(matrix)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

public subroutine dbcsr_reserve_diag_blocks(matrix)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

public subroutine dbcsr_add_work_coordinate(matrix, index_matrix, row, col, blk, index)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: index_matrix
integer, intent(in) :: row
integer, intent(in) :: col
integer, intent(in), optional :: blk
integer, intent(out), optional :: index

public subroutine dbcsr_set_work_size(matrix, index_matrix, newvalue)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: index_matrix
integer, intent(in) :: newvalue

public subroutine dbcsr_init_random(matrix, keep_sparsity, mini_seed)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
logical, optional :: keep_sparsity
integer, intent(in), optional :: mini_seed

public subroutine dbcsr_get_stored_coordinates(matrix, row, column, processor)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: column
integer, intent(out), optional :: processor

public subroutine dbcsr_iterator_stop(iterator)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator

public subroutine dbcsr_iterator_start(iterator, matrix, shared, dynamic, dynamic_byrows, contiguous_pointers, read_only)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(out) :: iterator
type(dbcsr_type), intent(in) :: matrix
logical, intent(in), optional :: shared
logical, intent(in), optional :: dynamic
logical, intent(in), optional :: dynamic_byrows
logical, intent(in), optional :: contiguous_pointers
logical, intent(in), optional :: read_only

private subroutine dbcsr_iterator_next_block_index(iterator, row, column, blk, blk_p)

Gets the index information of the next block, no data.

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator

the iterator
integer, intent(out) :: row

row of the data block column of the data block block number
integer, intent(out) :: column

row of the data block column of the data block block number
integer, intent(out) :: blk

row of the data block column of the data block block number
integer, intent(out), optional :: blk_p

index into block data array

public 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)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(out), optional :: nblkrows_total
integer, intent(out), optional :: nblkcols_total
integer, intent(out), optional :: nfullrows_total
integer, intent(out), optional :: nfullcols_total
integer, intent(out), optional :: nblkrows_local
integer, intent(out), optional :: nblkcols_local
integer, intent(out), optional :: nfullrows_local
integer, intent(out), optional :: nfullcols_local
integer, intent(out), optional :: my_prow
integer, intent(out), optional :: my_pcol
integer, optional DIMENSION(:), POINTER:: local_rows
integer, optional DIMENSION(:), POINTER:: local_cols
integer, optional DIMENSION(:), POINTER:: proc_row_dist
integer, optional DIMENSION(:), POINTER:: proc_col_dist
integer, optional DIMENSION(:), POINTER:: row_blk_size
integer, optional DIMENSION(:), POINTER:: col_blk_size
integer, optional DIMENSION(:), POINTER:: row_blk_offset
integer, optional DIMENSION(:), POINTER:: 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
integer, intent(out), optional :: group

public 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)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_distribution_type), intent(in) :: dist
integer, optional DIMENSION(:), POINTER:: row_dist
integer, optional DIMENSION(:), POINTER:: col_dist
integer, intent(out), optional :: nrows
integer, intent(out), optional :: ncols
logical, intent(out), optional :: has_threads
integer, intent(out), optional :: group
integer, intent(out), optional :: mynode
integer, intent(out), optional :: numnodes
integer, intent(out), optional :: nprows
integer, intent(out), optional :: npcols
integer, intent(out), optional :: myprow
integer, intent(out), optional :: mypcol
integer, optional DIMENSION(:, :), POINTER:: pgrid
logical, intent(out), optional :: subgroups_defined
integer, intent(out), optional :: prow_group
integer, intent(out), optional :: pcol_group

public subroutine dbcsr_distribution_hold(dist)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_distribution_type) :: dist

public subroutine dbcsr_distribution_release(dist)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_distribution_type) :: dist

private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout), TARGET:: matrix
integer, intent(in) :: which_norm
real(kind=dp), intent(out) :: norm_scalar

private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout), TARGET:: matrix
integer, intent(in) :: which_norm
real(kind=dp), intent(out), DIMENSION(:):: norm_vector

public subroutine dbcsr_replicate_all(matrix)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

public subroutine dbcsr_distribute(matrix, fast)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
logical, intent(in), optional :: fast

public subroutine dbcsr_release_p(matrix)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), POINTER:: matrix

public subroutine dbcsr_release(matrix)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

public subroutine dbcsr_init_p(matrix)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), POINTER:: matrix

public subroutine dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
logical, intent(in), optional :: nodata
logical, intent(in), optional :: matlab_format
character, intent(in), optional :: variable_name
integer, optional :: unit_nr

public subroutine dbcsr_print_block_sum(matrix, unit_nr)

Prints the sum of the elements in each block

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, optional :: unit_nr

public subroutine dbcsr_sum_replicated(matrix)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

public subroutine dbcsr_triu(matrix)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

public subroutine dbcsr_verify_matrix(matrix, verbosity, local)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in), optional :: verbosity
logical, intent(in), optional :: local

public subroutine dbcsr_distribution_new(dist, template, group, pgrid, row_dist, col_dist, reuse_arrays)

Creates new distribution from blockr distributions

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_distribution_type), intent(out) :: dist

distribution
type(dbcsr_distribution_type), intent(in), optional :: template
integer, intent(in), optional :: group
integer, optional DIMENSION(:, :), POINTER:: pgrid
integer, intent(inout), DIMENSION(:), POINTER:: row_dist
integer, intent(inout), DIMENSION(:), POINTER:: col_dist
logical, intent(in), optional :: reuse_arrays

public subroutine dbcsr_print_statistics(print_timers, callgraph_filename)

Print statistics

Arguments

TypeIntentOptionalAttributesName
logical, intent(in), optional :: print_timers
character(len=*), intent(in), optional :: callgraph_filename

public subroutine dbcsr_finalize(matrix, reshuffle)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
logical, intent(in), optional :: reshuffle

public subroutine dbcsr_work_create(matrix, nblks_guess, sizedata_guess, n, work_mutable)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in), optional :: nblks_guess
integer, intent(in), optional :: sizedata_guess
integer, intent(in), optional :: n
logical, intent(in), optional :: work_mutable

private 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)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
character(len=*), intent(in) :: name
type(dbcsr_distribution_type), intent(in) :: dist
character, intent(in) :: matrix_type
integer, intent(inout), DIMENSION(:), POINTER:: row_blk_size
integer, intent(inout), DIMENSION(:), POINTER:: col_blk_size
integer, intent(in), optional :: nze
integer, intent(in), optional :: data_type
logical, intent(in), optional :: reuse
logical, intent(in), optional :: reuse_arrays
logical, intent(in), optional :: mutable_work
character, intent(in), optional :: replication_type

private 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)

Arguments

TypeIntentOptionalAttributesName
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, intent(inout), optional DIMENSION(:), POINTER:: row_blk_size
integer, intent(inout), optional DIMENSION(:), POINTER:: col_blk_size
integer, intent(in), optional :: nze
integer, intent(in), optional :: data_type
logical, intent(in), optional :: reuse_arrays
logical, intent(in), optional :: mutable_work
character, intent(in), optional :: replication_type

public subroutine dbcsr_filter(matrix, eps, method, use_absolute, filter_diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
real(kind=dp), intent(in) :: eps
integer, intent(in), optional :: method
logical, intent(in), optional :: use_absolute
logical, intent(in), optional :: filter_diag

public subroutine dbcsr_get_block_diag(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
type(dbcsr_type), intent(inout) :: diag

public subroutine dbcsr_binary_write(matrix, filepath)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
character(len=*), intent(in) :: filepath

public subroutine dbcsr_binary_read(filepath, distribution, groupid, matrix_new)

Arguments

TypeIntentOptionalAttributesName
character(len=*), intent(in) :: filepath
type(dbcsr_distribution_type), intent(in) :: distribution
integer, intent(in), optional :: groupid
type(dbcsr_type), intent(inout) :: matrix_new

public subroutine dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, shallow_data, keep_imaginary, matrix_type)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_b
type(dbcsr_type), intent(in) :: matrix_a
character(len=*), intent(in), optional :: name
logical, intent(in), optional :: keep_sparsity
logical, intent(in), optional :: shallow_data
logical, intent(in), optional :: keep_imaginary
character, intent(in), optional :: matrix_type

public subroutine dbcsr_copy_into_existing(matrix_b, matrix_a)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_b
type(dbcsr_type), intent(in) :: matrix_a

public subroutine dbcsr_desymmetrize(matrix_a, matrix_b)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(inout) :: matrix_b

public subroutine dbcsr_transposed(transposed, normal, shallow_data_copy, transpose_data, transpose_distribution, use_distribution)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: transposed
type(dbcsr_type), intent(in) :: normal
logical, intent(in), optional :: shallow_data_copy
logical, intent(in), optional :: transpose_data
logical, intent(in), optional :: transpose_distribution
type(dbcsr_distribution_type), intent(in), optional :: use_distribution

public subroutine dbcsr_function_of_elements(matrix_a, func, a0, a1, a2)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
integer, intent(in) :: func
real(kind=dp), intent(in), optional :: a0
real(kind=dp), intent(in), optional :: a1
real(kind=dp), intent(in), optional :: a2

public subroutine dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_assume_value)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
type(dbcsr_type), intent(inout) :: matrix_c
real(kind=dp), intent(in), optional :: b_assume_value

public subroutine dbcsr_deallocate_matrix(matrix)

Deallocates a DBCSR matrix for compatibility with CP2K

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), POINTER:: matrix

DBCSR matrix

public subroutine dbcsr_csr_create_from_dbcsr(dbcsr_mat, csr_mat, dist_format, csr_sparsity, numnodes)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: dbcsr_mat
type(csr_type), intent(out) :: csr_mat
integer :: dist_format
type(dbcsr_type), intent(in), optional :: csr_sparsity
integer, intent(in), optional :: numnodes

public subroutine dbcsr_convert_csr_to_dbcsr(dbcsr_mat, csr_mat)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: dbcsr_mat
type(csr_type), intent(inout) :: csr_mat

public subroutine dbcsr_convert_dbcsr_to_csr(dbcsr_mat, csr_mat)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: dbcsr_mat
type(csr_type), intent(inout) :: csr_mat

public subroutine dbcsr_to_csr_filter(dbcsr_mat, csr_sparsity, eps)

Apply filtering threshold eps to DBCSR blocks in order to improve CSR sparsity (currently only used for testing purposes)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: dbcsr_mat
type(dbcsr_type), intent(out) :: csr_sparsity
real(kind=real_8), intent(in) :: eps

public subroutine dbcsr_clear(dbcsr_mat)

Clear a matrix

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: dbcsr_mat

public subroutine dbcsr_add_block_node(matrix, block_row, block_col, block)

Emulation of sparse_matrix_types/add_block_node mapped to add_real_matrix_block.... should not be used any longer It adds a block to the dbcsr matrix and returns a rank-2 pointer to the block. Currently it only and always uses the mutable data.

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

DBCSR matrix
integer, intent(in) :: block_row

the row the column
integer, intent(in) :: block_col

the row the column
real(kind=dp), DIMENSION(:, :), POINTER:: block

the block to put

private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_8), DIMENSION(:, :), POINTER:: block
logical, intent(in), optional :: transposed
logical, intent(out), optional :: existed

private subroutine dbcsr_iterator_next_2d_block_d(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
real(kind=real_8), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: transposed
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_2d_block_notrans_d(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
real(kind=real_8), DIMENSION(:, :), POINTER:: block
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_1d_block_d(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
real(kind=real_8), DIMENSION(:), POINTER:: block
logical, intent(out) :: transposed
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_1d_block_notrans_d(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
real(kind=real_8), DIMENSION(:), POINTER:: block
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_8), intent(in), DIMENSION(:, :):: block
logical, intent(in), optional :: summation
real(kind=real_8), intent(in), optional :: scale

private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_8), intent(in), DIMENSION(:):: block
logical, intent(in), optional :: summation
real(kind=real_8), intent(in), optional :: scale

private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_8), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: tr
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_2d_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_8), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_8), DIMENSION(:), POINTER:: block
logical, intent(out) :: tr
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_8), DIMENSION(:), POINTER:: block
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_trace_d(matrix_a, trace)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
real(kind=real_8), intent(out) :: trace

private subroutine dbcsr_dot_d(matrix_a, matrix_b, result)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
real(kind=real_8), intent(inout) :: result

private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

Arguments

TypeIntentOptionalAttributesName
character(len=1), intent(in) :: transa
character(len=1), intent(in) :: transb
real(kind=real_8), intent(in) :: alpha
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
real(kind=real_8), intent(in) :: beta
type(dbcsr_type), intent(inout) :: matrix_c
integer, intent(in), optional :: first_row
integer, intent(in), optional :: last_row
integer, intent(in), optional :: first_column
integer, intent(in), optional :: last_column
integer, intent(in), optional :: first_k
integer, intent(in), optional :: last_k
logical, intent(in), optional :: retain_sparsity
real(kind=real_8), intent(in), optional :: filter_eps
integer(kind=int_8), intent(out), optional :: flop

private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
real(kind=real_8), intent(in), DIMENSION(:), TARGET:: alpha
character(len=*), intent(in) :: side

private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
real(kind=real_8), intent(in) :: alpha_scalar
integer, intent(in), optional :: last_column

private subroutine dbcsr_set_d(matrix, alpha)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
real(kind=real_8), intent(in) :: alpha

private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
real(kind=real_8), intent(in) :: alpha_scalar
real(kind=real_8), intent(in) :: beta_scalar

private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
real(kind=real_8), intent(in) :: alpha_scalar

private subroutine dbcsr_set_diag_d(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
real(kind=real_8), intent(in), DIMENSION(:):: diag

private subroutine dbcsr_get_diag_d(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
real(kind=real_8), intent(out), DIMENSION(:):: diag

private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_4), DIMENSION(:, :), POINTER:: block
logical, intent(in), optional :: transposed
logical, intent(out), optional :: existed

private subroutine dbcsr_iterator_next_2d_block_s(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
real(kind=real_4), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: transposed
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_2d_block_notrans_s(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
real(kind=real_4), DIMENSION(:, :), POINTER:: block
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_1d_block_s(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
real(kind=real_4), DIMENSION(:), POINTER:: block
logical, intent(out) :: transposed
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_1d_block_notrans_s(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
real(kind=real_4), DIMENSION(:), POINTER:: block
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_4), intent(in), DIMENSION(:, :):: block
logical, intent(in), optional :: summation
real(kind=real_4), intent(in), optional :: scale

private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_4), intent(in), DIMENSION(:):: block
logical, intent(in), optional :: summation
real(kind=real_4), intent(in), optional :: scale

private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_4), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: tr
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_2d_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_4), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_4), DIMENSION(:), POINTER:: block
logical, intent(out) :: tr
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
real(kind=real_4), DIMENSION(:), POINTER:: block
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_trace_s(matrix_a, trace)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
real(kind=real_4), intent(out) :: trace

private subroutine dbcsr_dot_s(matrix_a, matrix_b, result)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
real(kind=real_4), intent(inout) :: result

private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

Arguments

TypeIntentOptionalAttributesName
character(len=1), intent(in) :: transa
character(len=1), intent(in) :: transb
real(kind=real_4), intent(in) :: alpha
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
real(kind=real_4), intent(in) :: beta
type(dbcsr_type), intent(inout) :: matrix_c
integer, intent(in), optional :: first_row
integer, intent(in), optional :: last_row
integer, intent(in), optional :: first_column
integer, intent(in), optional :: last_column
integer, intent(in), optional :: first_k
integer, intent(in), optional :: last_k
logical, intent(in), optional :: retain_sparsity
real(kind=real_8), intent(in), optional :: filter_eps
integer(kind=int_8), intent(out), optional :: flop

private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
real(kind=real_4), intent(in), DIMENSION(:), TARGET:: alpha
character(len=*), intent(in) :: side

private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
real(kind=real_4), intent(in) :: alpha_scalar
integer, intent(in), optional :: last_column

private subroutine dbcsr_set_s(matrix, alpha)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
real(kind=real_4), intent(in) :: alpha

private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
real(kind=real_4), intent(in) :: alpha_scalar
real(kind=real_4), intent(in) :: beta_scalar

private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
real(kind=real_4), intent(in) :: alpha_scalar

private subroutine dbcsr_set_diag_s(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
real(kind=real_4), intent(in), DIMENSION(:):: diag

private subroutine dbcsr_get_diag_s(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
real(kind=real_4), intent(out), DIMENSION(:):: diag

private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_8), DIMENSION(:, :), POINTER:: block
logical, intent(in), optional :: transposed
logical, intent(out), optional :: existed

private subroutine dbcsr_iterator_next_2d_block_z(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
complex(kind=real_8), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: transposed
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_2d_block_notrans_z(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
complex(kind=real_8), DIMENSION(:, :), POINTER:: block
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_1d_block_z(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
complex(kind=real_8), DIMENSION(:), POINTER:: block
logical, intent(out) :: transposed
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_1d_block_notrans_z(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
complex(kind=real_8), DIMENSION(:), POINTER:: block
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_8), intent(in), DIMENSION(:, :):: block
logical, intent(in), optional :: summation
complex(kind=real_8), intent(in), optional :: scale

private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_8), intent(in), DIMENSION(:):: block
logical, intent(in), optional :: summation
complex(kind=real_8), intent(in), optional :: scale

private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_8), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: tr
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_2d_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_8), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_8), DIMENSION(:), POINTER:: block
logical, intent(out) :: tr
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_8), DIMENSION(:), POINTER:: block
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_trace_z(matrix_a, trace)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
complex(kind=real_8), intent(out) :: trace

private subroutine dbcsr_dot_z(matrix_a, matrix_b, result)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
complex(kind=real_8), intent(inout) :: result

private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

Arguments

TypeIntentOptionalAttributesName
character(len=1), intent(in) :: transa
character(len=1), intent(in) :: transb
complex(kind=real_8), intent(in) :: alpha
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
complex(kind=real_8), intent(in) :: beta
type(dbcsr_type), intent(inout) :: matrix_c
integer, intent(in), optional :: first_row
integer, intent(in), optional :: last_row
integer, intent(in), optional :: first_column
integer, intent(in), optional :: last_column
integer, intent(in), optional :: first_k
integer, intent(in), optional :: last_k
logical, intent(in), optional :: retain_sparsity
real(kind=real_8), intent(in), optional :: filter_eps
integer(kind=int_8), intent(out), optional :: flop

private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
complex(kind=real_8), intent(in), DIMENSION(:), TARGET:: alpha
character(len=*), intent(in) :: side

private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
complex(kind=real_8), intent(in) :: alpha_scalar
integer, intent(in), optional :: last_column

private subroutine dbcsr_set_z(matrix, alpha)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
complex(kind=real_8), intent(in) :: alpha

private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
complex(kind=real_8), intent(in) :: alpha_scalar
complex(kind=real_8), intent(in) :: beta_scalar

private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
complex(kind=real_8), intent(in) :: alpha_scalar

private subroutine dbcsr_set_diag_z(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
complex(kind=real_8), intent(in), DIMENSION(:):: diag

private subroutine dbcsr_get_diag_z(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
complex(kind=real_8), intent(out), DIMENSION(:):: diag

private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_4), DIMENSION(:, :), POINTER:: block
logical, intent(in), optional :: transposed
logical, intent(out), optional :: existed

private subroutine dbcsr_iterator_next_2d_block_c(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
complex(kind=real_4), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: transposed
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_2d_block_notrans_c(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
complex(kind=real_4), DIMENSION(:, :), POINTER:: block
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_1d_block_c(iterator, row, column, block, transposed, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
complex(kind=real_4), DIMENSION(:), POINTER:: block
logical, intent(out) :: transposed
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_iterator_next_1d_block_notrans_c(iterator, row, column, block, block_number, row_size, col_size, row_offset, col_offset)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_iterator_type), intent(inout) :: iterator
integer, intent(out) :: row
integer, intent(out) :: column
complex(kind=real_4), DIMENSION(:), POINTER:: block
integer, intent(out), optional :: block_number
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size
integer, intent(out), optional :: row_offset
integer, intent(out), optional :: col_offset

private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_4), intent(in), DIMENSION(:, :):: block
logical, intent(in), optional :: summation
complex(kind=real_4), intent(in), optional :: scale

private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_4), intent(in), DIMENSION(:):: block
logical, intent(in), optional :: summation
complex(kind=real_4), intent(in), optional :: scale

private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_4), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: tr
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_2d_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_4), DIMENSION(:, :), POINTER:: block
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_4), DIMENSION(:), POINTER:: block
logical, intent(out) :: tr
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_get_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
integer, intent(in) :: row
integer, intent(in) :: col
complex(kind=real_4), DIMENSION(:), POINTER:: block
logical, intent(out) :: found
integer, intent(out), optional :: row_size
integer, intent(out), optional :: col_size

private subroutine dbcsr_trace_c(matrix_a, trace)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
complex(kind=real_4), intent(out) :: trace

private subroutine dbcsr_dot_c(matrix_a, matrix_b, result)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
complex(kind=real_4), intent(inout) :: result

private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

Arguments

TypeIntentOptionalAttributesName
character(len=1), intent(in) :: transa
character(len=1), intent(in) :: transb
complex(kind=real_4), intent(in) :: alpha
type(dbcsr_type), intent(in) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
complex(kind=real_4), intent(in) :: beta
type(dbcsr_type), intent(inout) :: matrix_c
integer, intent(in), optional :: first_row
integer, intent(in), optional :: last_row
integer, intent(in), optional :: first_column
integer, intent(in), optional :: last_column
integer, intent(in), optional :: first_k
integer, intent(in), optional :: last_k
logical, intent(in), optional :: retain_sparsity
real(kind=real_8), intent(in), optional :: filter_eps
integer(kind=int_8), intent(out), optional :: flop

private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
complex(kind=real_4), intent(in), DIMENSION(:), TARGET:: alpha
character(len=*), intent(in) :: side

private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
complex(kind=real_4), intent(in) :: alpha_scalar
integer, intent(in), optional :: last_column

private subroutine dbcsr_set_c(matrix, alpha)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
complex(kind=real_4), intent(in) :: alpha

private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix_a
type(dbcsr_type), intent(in) :: matrix_b
complex(kind=real_4), intent(in) :: alpha_scalar
complex(kind=real_4), intent(in) :: beta_scalar

private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
complex(kind=real_4), intent(in) :: alpha_scalar

private subroutine dbcsr_set_diag_c(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix
complex(kind=real_4), intent(in), DIMENSION(:):: diag

private subroutine dbcsr_get_diag_c(matrix, diag)

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(in) :: matrix
complex(kind=real_4), intent(out), DIMENSION(:):: diag