Data Types
interface	dbcsr_create

type	dbcsr_distribution_type

type	dbcsr_iterator_type

type	dbcsr_p_type

type	dbcsr_type

Functions/Subroutines
subroutine, public	dbcsr_init_p (matrix)
	...

subroutine, public	dbcsr_release_p (matrix)
	...

subroutine, public	dbcsr_deallocate_matrix (matrix)
	...

subroutine, public	dbcsr_add (matrix_a, matrix_b, alpha_scalar, beta_scalar)
	...

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

subroutine, public	dbcsr_binary_write (matrix, filepath)
	...

subroutine, public	dbcsr_clear (matrix)
	...

subroutine, public	dbcsr_complete_redistribute (matrix, redist)
	...

subroutine, public	dbcsr_convert_csr_to_dbcsr (dbcsr_mat, csr_mat)
	...

subroutine, public	dbcsr_convert_dbcsr_to_csr (dbcsr_mat, csr_mat)
	...

subroutine, public	dbcsr_copy (matrix_b, matrix_a, name, keep_sparsity, keep_imaginary)
	...

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

subroutine, public	dbcsr_csr_create_and_convert_complex (rmatrix, imatrix, csr_mat, dist_format)
	Combines csr_create_from_dbcsr and convert_dbcsr_to_csr to produce a complex CSR matrix.

subroutine, public	dbcsr_desymmetrize (matrix_a, matrix_b)
	...

subroutine, public	dbcsr_distribute (matrix)
	...

subroutine, public	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)
	...

subroutine, public	dbcsr_distribution_hold (dist)
	...

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

subroutine, public	dbcsr_distribution_release (dist)
	...

subroutine, public	dbcsr_filter (matrix, eps)
	...

subroutine, public	dbcsr_finalize (matrix)
	...

subroutine, public	dbcsr_get_block_p (matrix, row, col, block, found, row_size, col_size)
	...

subroutine, public	dbcsr_get_readonly_block_p (matrix, row, col, block, found, row_size, col_size)
	Like dbcsr_get_block_p() but with matrix being INTENT(IN). When invoking this routine, the caller promises not to modify the returned block.

real(kind=dp) function, dimension(:), pointer, public	dbcsr_get_data_p (matrix, lb, ub)
	...

integer function, public	dbcsr_get_data_size (matrix)
	...

subroutine, public	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, group)
	...

character function, public	dbcsr_get_matrix_type (matrix)
	...

integer function, public	dbcsr_get_num_blocks (matrix)
	...

real(kind=dp) function, public	dbcsr_get_occupation (matrix)
	...

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

logical function, public	dbcsr_has_symmetry (matrix)
	...

logical function, public	dbcsr_iterator_blocks_left (iterator)
	...

subroutine, public	dbcsr_iterator_next_block (iterator, row, column, block, block_number_argument_has_been_removed, row_size, col_size, row_offset, col_offset)
	...

subroutine, public	dbcsr_iterator_start (iterator, matrix, shared, dynamic, dynamic_byrows)
	...

subroutine, public	dbcsr_iterator_readonly_start (iterator, matrix, shared, dynamic, dynamic_byrows)
	Like dbcsr_iterator_start() but with matrix being INTENT(IN). When invoking this routine, the caller promises not to modify the returned blocks.

subroutine, public	dbcsr_iterator_stop (iterator)
	...

subroutine, public	dbcsr_mp_grid_setup (dist)
	...

subroutine, public	dbcsr_multiply (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)
	...

subroutine, public	dbcsr_put_block (matrix, row, col, block, summation)
	...

subroutine, public	dbcsr_release (matrix)
	...

subroutine, public	dbcsr_replicate_all (matrix)
	...

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

subroutine, public	dbcsr_scale (matrix, alpha_scalar)
	...

subroutine, public	dbcsr_set (matrix, alpha)
	...

subroutine, public	dbcsr_sum_replicated (matrix)
	...

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

logical function, public	dbcsr_valid_index (matrix)
	...

subroutine, public	dbcsr_verify_matrix (matrix, verbosity, local)
	...

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

subroutine, public	dbcsr_dot_threadsafe (matrix_a, matrix_b, result)
	...

Function/Subroutine Documentation

◆ dbcsr_init_p()

subroutine, public cp_dbcsr_api::dbcsr_init_p ( type(dbcsr_type), pointer matrix )

...

Parameters

matrix ...

Definition at line 204 of file cp_dbcsr_api.F.

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◆ dbcsr_release_p()

subroutine, public cp_dbcsr_api::dbcsr_release_p ( type(dbcsr_type), pointer matrix )

...

Parameters

matrix ...

Definition at line 219 of file cp_dbcsr_api.F.

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◆ dbcsr_deallocate_matrix()

subroutine, public cp_dbcsr_api::dbcsr_deallocate_matrix ( type(dbcsr_type), pointer matrix )

...

Parameters

matrix ...

Definition at line 232 of file cp_dbcsr_api.F.

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◆ dbcsr_add()

subroutine, public cp_dbcsr_api::dbcsr_add	(	type(dbcsr_type), intent(inout)	matrix_a,
		type(dbcsr_type), intent(in)	matrix_b,
		real(kind=dp), intent(in)	alpha_scalar,
		real(kind=dp), intent(in)	beta_scalar
	)

...

Parameters

matrix_a	...
matrix_b	...
alpha_scalar	...
beta_scalar	...

Definition at line 250 of file cp_dbcsr_api.F.

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◆ dbcsr_binary_read()

subroutine, public cp_dbcsr_api::dbcsr_binary_read	(	character(len=*), intent(in)	filepath,
		type(dbcsr_distribution_type), intent(in)	distribution,
		type(dbcsr_type), intent(inout)	matrix_new
	)

...

Parameters

filepath	...
distribution	...
matrix_new	...

Definition at line 269 of file cp_dbcsr_api.F.

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◆ dbcsr_binary_write()

subroutine, public cp_dbcsr_api::dbcsr_binary_write	(	type(dbcsr_type), intent(inout)	matrix,
		character(len=*), intent(in)	filepath
	)

...

Parameters

matrix	...
filepath	...

Definition at line 286 of file cp_dbcsr_api.F.

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◆ dbcsr_clear()

subroutine, public cp_dbcsr_api::dbcsr_clear ( type(dbcsr_type), intent(inout) matrix )

...

Parameters

matrix ...

Definition at line 301 of file cp_dbcsr_api.F.

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◆ dbcsr_complete_redistribute()

subroutine, public cp_dbcsr_api::dbcsr_complete_redistribute	(	type(dbcsr_type), intent(in)	matrix,
		type(dbcsr_type), intent(inout)	redist
	)

...

Parameters

matrix	...
redist	...

Definition at line 316 of file cp_dbcsr_api.F.

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◆ dbcsr_convert_csr_to_dbcsr()

subroutine, public cp_dbcsr_api::dbcsr_convert_csr_to_dbcsr	(	type(dbcsr_type), intent(inout)	dbcsr_mat,
		type(dbcsr_csr_type), intent(inout)	csr_mat
	)

...

Parameters

dbcsr_mat	...
csr_mat	...

Definition at line 332 of file cp_dbcsr_api.F.

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◆ dbcsr_convert_dbcsr_to_csr()

subroutine, public cp_dbcsr_api::dbcsr_convert_dbcsr_to_csr	(	type(dbcsr_type), intent(in)	dbcsr_mat,
		type(dbcsr_csr_type), intent(inout)	csr_mat
	)

...

Parameters

dbcsr_mat	...
csr_mat	...

Definition at line 348 of file cp_dbcsr_api.F.

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◆ dbcsr_copy()

subroutine, public cp_dbcsr_api::dbcsr_copy	(	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	keep_imaginary
	)

...

Parameters

matrix_b	...
matrix_a	...
name	...
keep_sparsity	...
keep_imaginary	...

Definition at line 367 of file cp_dbcsr_api.F.

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◆ dbcsr_csr_create_from_dbcsr()

subroutine, public cp_dbcsr_api::dbcsr_csr_create_from_dbcsr	(	type(dbcsr_type), intent(in)	dbcsr_mat,
		type(dbcsr_csr_type), intent(out)	csr_mat,
		integer	dist_format,
		type(dbcsr_type), intent(in), optional	csr_sparsity,
		integer, intent(in), optional	numnodes
	)

...

Parameters

dbcsr_mat	...
csr_mat	...
dist_format	...
csr_sparsity	...
numnodes	...

Definition at line 457 of file cp_dbcsr_api.F.

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◆ dbcsr_csr_create_and_convert_complex()

subroutine, public cp_dbcsr_api::dbcsr_csr_create_and_convert_complex	(	type(dbcsr_type), intent(in)	rmatrix,
		type(dbcsr_type), intent(in)	imatrix,
		type(dbcsr_csr_type), intent(inout)	csr_mat,
		integer	dist_format
	)

Combines csr_create_from_dbcsr and convert_dbcsr_to_csr to produce a complex CSR matrix.

Parameters

rmatrix	Real part of the matrix.
imatrix	Imaginary part of the matrix.
csr_mat	The resulting CSR matrix.
dist_format	...

Definition at line 485 of file cp_dbcsr_api.F.

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◆ dbcsr_desymmetrize()

subroutine, public cp_dbcsr_api::dbcsr_desymmetrize	(	type(dbcsr_type), intent(in)	matrix_a,
		type(dbcsr_type), intent(inout)	matrix_b
	)

...

Parameters

matrix_a	...
matrix_b	...

Definition at line 516 of file cp_dbcsr_api.F.

◆ dbcsr_distribute()

subroutine, public cp_dbcsr_api::dbcsr_distribute ( type(dbcsr_type), intent(inout) matrix )

...

Parameters

matrix ...

Definition at line 531 of file cp_dbcsr_api.F.

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◆ dbcsr_distribution_get()

subroutine, public cp_dbcsr_api::dbcsr_distribution_get	(	type(dbcsr_distribution_type), intent(in)	dist,
		integer, dimension(:), optional, pointer	row_dist,
		integer, dimension(:), optional, 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, dimension(:, :), optional, pointer	pgrid,
		logical, intent(out), optional	subgroups_defined,
		integer, intent(out), optional	prow_group,
		integer, intent(out), optional	pcol_group
	)

...

Parameters

dist	...
row_dist	...
col_dist	...
nrows	...
ncols	...
has_threads	...
group	...
mynode	...
numnodes	...
nprows	...
npcols	...
myprow	...
mypcol	...
pgrid	...
subgroups_defined	...
prow_group	...
pcol_group	...

Definition at line 561 of file cp_dbcsr_api.F.

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◆ dbcsr_distribution_hold()

subroutine, public cp_dbcsr_api::dbcsr_distribution_hold ( type(dbcsr_distribution_type) dist )

...

Parameters

dist ...

Definition at line 587 of file cp_dbcsr_api.F.

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◆ dbcsr_distribution_new()

subroutine, public cp_dbcsr_api::dbcsr_distribution_new	(	type(dbcsr_distribution_type), intent(out)	dist,
		type(dbcsr_distribution_type), intent(in), optional	template,
		integer, intent(in), optional	group,
		integer, dimension(:, :), optional, pointer	pgrid,
		integer, dimension(:), intent(inout), pointer	row_dist,
		integer, dimension(:), intent(inout), pointer	col_dist,
		logical, intent(in), optional	reuse_arrays
	)

...

Parameters

dist	...
template	...
group	...
pgrid	...
row_dist	...
col_dist	...
reuse_arrays	...

Definition at line 607 of file cp_dbcsr_api.F.

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◆ dbcsr_distribution_release()

subroutine, public cp_dbcsr_api::dbcsr_distribution_release ( type(dbcsr_distribution_type) dist )

...

Parameters

dist ...

Definition at line 628 of file cp_dbcsr_api.F.

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◆ dbcsr_filter()

subroutine, public cp_dbcsr_api::dbcsr_filter	(	type(dbcsr_type), intent(inout)	matrix,
		real(dp), intent(in)	eps
	)

...

Parameters

matrix	...
eps	...

Definition at line 643 of file cp_dbcsr_api.F.

◆ dbcsr_finalize()

subroutine, public cp_dbcsr_api::dbcsr_finalize ( type(dbcsr_type), intent(inout) matrix )

...

Parameters

matrix ...

Definition at line 658 of file cp_dbcsr_api.F.

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◆ dbcsr_get_block_p()

subroutine, public cp_dbcsr_api::dbcsr_get_block_p	(	type(dbcsr_type), intent(inout)	matrix,
		integer, intent(in)	row,
		integer, intent(in)	col,
		real(kind=dp), dimension(:, :), pointer	block,
		logical, intent(out)	found,
		integer, intent(out), optional	row_size,
		integer, intent(out), optional	col_size
	)

...

Parameters

matrix	...
row	...
col	...
block	...
found	...
row_size	...
col_size	...

Definition at line 678 of file cp_dbcsr_api.F.

◆ dbcsr_get_readonly_block_p()

subroutine, public cp_dbcsr_api::dbcsr_get_readonly_block_p	(	type(dbcsr_type), intent(in), target	matrix,
		integer, intent(in)	row,
		integer, intent(in)	col,
		real(kind=dp), dimension(:, :), pointer	block,
		logical, intent(out)	found,
		integer, intent(out), optional	row_size,
		integer, intent(out), optional	col_size
	)

Like dbcsr_get_block_p() but with matrix being INTENT(IN). When invoking this routine, the caller promises not to modify the returned block.

Parameters

matrix	...
row	...
col	...
block	...
found	...
row_size	...
col_size	...

Definition at line 703 of file cp_dbcsr_api.F.

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◆ dbcsr_get_data_p()

real(kind=dp) function, dimension(:), pointer, public cp_dbcsr_api::dbcsr_get_data_p	(	type(dbcsr_type), intent(in)	matrix,
		integer, intent(in), optional	lb,
		integer, intent(in), optional	ub
	)

...

Parameters

matrix	...
lb	...
ub	...

Returns: ...

Definition at line 734 of file cp_dbcsr_api.F.

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◆ dbcsr_get_data_size()

integer function, public cp_dbcsr_api::dbcsr_get_data_size ( type(dbcsr_type), intent(in) matrix )

...

Parameters

matrix ...

Returns: ...

Definition at line 751 of file cp_dbcsr_api.F.

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◆ dbcsr_get_info()

subroutine, public cp_dbcsr_api::dbcsr_get_info	(	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, dimension(:), optional, pointer	local_rows,
		integer, dimension(:), optional, pointer	local_cols,
		integer, dimension(:), optional, pointer	proc_row_dist,
		integer, dimension(:), optional, pointer	proc_col_dist,
		integer, dimension(:), optional, pointer	row_blk_size,
		integer, dimension(:), optional, pointer	col_blk_size,
		integer, dimension(:), optional, pointer	row_blk_offset,
		integer, dimension(:), optional, pointer	col_blk_offset,
		type(dbcsr_distribution_type), intent(out), optional	distribution,
		character(len=*), intent(out), optional	name,
		character, intent(out), optional	matrix_type,
		type(mp_comm_type), intent(out), optional	group
	)

...

Parameters

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	...
group	...

Definition at line 788 of file cp_dbcsr_api.F.

◆ dbcsr_get_matrix_type()

character function, public cp_dbcsr_api::dbcsr_get_matrix_type ( type(dbcsr_type), intent(in) matrix )

...

Parameters

matrix ...

Returns: ...

Definition at line 846 of file cp_dbcsr_api.F.

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◆ dbcsr_get_num_blocks()

integer function, public cp_dbcsr_api::dbcsr_get_num_blocks ( type(dbcsr_type), intent(in) matrix )

...

Parameters

matrix ...

Returns: ...

Definition at line 862 of file cp_dbcsr_api.F.

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◆ dbcsr_get_occupation()

real(kind=dp) function, public cp_dbcsr_api::dbcsr_get_occupation ( type(dbcsr_type), intent(in) matrix )

...

Parameters

matrix ...

Returns: ...

Definition at line 878 of file cp_dbcsr_api.F.

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◆ dbcsr_get_stored_coordinates()

subroutine, public cp_dbcsr_api::dbcsr_get_stored_coordinates	(	type(dbcsr_type), intent(in)	matrix,
		integer, intent(in)	row,
		integer, intent(in)	column,
		integer, intent(out)	processor
	)

...

Parameters

matrix	...
row	...
column	...
processor	...

Definition at line 896 of file cp_dbcsr_api.F.

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◆ dbcsr_has_symmetry()

logical function, public cp_dbcsr_api::dbcsr_has_symmetry ( type(dbcsr_type), intent(in) matrix )

...

Parameters

matrix ...

Returns: ...

Definition at line 913 of file cp_dbcsr_api.F.

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◆ dbcsr_iterator_blocks_left()

logical function, public cp_dbcsr_api::dbcsr_iterator_blocks_left ( type(dbcsr_iterator_type), intent(in) iterator )

...

Parameters

iterator ...

Returns: ...

Definition at line 929 of file cp_dbcsr_api.F.

◆ dbcsr_iterator_next_block()

subroutine, public cp_dbcsr_api::dbcsr_iterator_next_block	(	type(dbcsr_iterator_type), intent(inout)	iterator,
		integer, intent(out), optional	row,
		integer, intent(out), optional	column,
		real(kind=dp), dimension(:, :), optional, pointer	block,
		logical, optional	block_number_argument_has_been_removed,
		integer, intent(out), optional	row_size,
		integer, intent(out), optional	col_size,
		integer, intent(out), optional	row_offset,
		integer, intent(out), optional	col_offset
	)

...

Parameters

iterator	...
row	...
column	...
block	...
block_number_argument_has_been_removed	...
row_size	...
col_size	...
row_offset	...
col_offset	...

Definition at line 952 of file cp_dbcsr_api.F.

◆ dbcsr_iterator_start()

subroutine, public cp_dbcsr_api::dbcsr_iterator_start	(	type(dbcsr_iterator_type), intent(out)	iterator,
		type(dbcsr_type), intent(inout)	matrix,
		logical, intent(in), optional	shared,
		logical, intent(in), optional	dynamic,
		logical, intent(in), optional	dynamic_byrows
	)

...

Parameters

iterator	...
matrix	...
shared	...
dynamic	...
dynamic_byrows	...

Definition at line 988 of file cp_dbcsr_api.F.

◆ dbcsr_iterator_readonly_start()

subroutine, public cp_dbcsr_api::dbcsr_iterator_readonly_start	(	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
	)

Like dbcsr_iterator_start() but with matrix being INTENT(IN). When invoking this routine, the caller promises not to modify the returned blocks.

Parameters

iterator	...
matrix	...
shared	...
dynamic	...
dynamic_byrows	...

Definition at line 1009 of file cp_dbcsr_api.F.

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◆ dbcsr_iterator_stop()

subroutine, public cp_dbcsr_api::dbcsr_iterator_stop ( type(dbcsr_iterator_type), intent(inout) iterator )

...

Parameters

iterator ...

Definition at line 1026 of file cp_dbcsr_api.F.

◆ dbcsr_mp_grid_setup()

subroutine, public cp_dbcsr_api::dbcsr_mp_grid_setup ( type(dbcsr_distribution_type), intent(inout) dist )

...

Parameters

dist ...

Definition at line 1040 of file cp_dbcsr_api.F.

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◆ dbcsr_multiply()

subroutine, public cp_dbcsr_api::dbcsr_multiply	(	character(len=1), intent(in)	transa,
		character(len=1), intent(in)	transb,
		real(kind=dp), intent(in)	alpha,
		type(dbcsr_type), intent(in)	matrix_a,
		type(dbcsr_type), intent(in)	matrix_b,
		real(kind=dp), 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=dp), intent(in), optional	filter_eps,
		integer(int_8), intent(out), optional	flop
	)

...

Parameters

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	...

Definition at line 1069 of file cp_dbcsr_api.F.

◆ dbcsr_put_block()

subroutine, public cp_dbcsr_api::dbcsr_put_block	(	type(dbcsr_type), intent(inout)	matrix,
		integer, intent(in)	row,
		integer, intent(in)	col,
		real(kind=dp), dimension(:, :), intent(in)	block,
		logical, intent(in), optional	summation
	)

...

Parameters

matrix	...
row	...
col	...
block	...
summation	...

Definition at line 1101 of file cp_dbcsr_api.F.

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◆ dbcsr_release()

subroutine, public cp_dbcsr_api::dbcsr_release ( type(dbcsr_type), intent(inout) matrix )

...

Parameters

matrix ...

Definition at line 1118 of file cp_dbcsr_api.F.

◆ dbcsr_replicate_all()

subroutine, public cp_dbcsr_api::dbcsr_replicate_all ( type(dbcsr_type), intent(inout) matrix )

...

Parameters

matrix ...

Definition at line 1132 of file cp_dbcsr_api.F.

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◆ dbcsr_reserve_blocks()

subroutine, public cp_dbcsr_api::dbcsr_reserve_blocks	(	type(dbcsr_type), intent(inout)	matrix,
		integer, dimension(:), intent(in)	rows,
		integer, dimension(:), intent(in)	cols
	)

...

Parameters

matrix	...
rows	...
cols	...

Definition at line 1148 of file cp_dbcsr_api.F.

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◆ dbcsr_scale()

subroutine, public cp_dbcsr_api::dbcsr_scale	(	type(dbcsr_type), intent(inout)	matrix,
		real(kind=dp), intent(in)	alpha_scalar
	)

...

Parameters

matrix	...
alpha_scalar	...

Definition at line 1164 of file cp_dbcsr_api.F.

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◆ dbcsr_set()

subroutine, public cp_dbcsr_api::dbcsr_set	(	type(dbcsr_type), intent(inout)	matrix,
		real(kind=dp), intent(in)	alpha
	)

...

Parameters

matrix	...
alpha	...

Definition at line 1180 of file cp_dbcsr_api.F.

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◆ dbcsr_sum_replicated()

subroutine, public cp_dbcsr_api::dbcsr_sum_replicated ( type(dbcsr_type), intent(inout) matrix )

...

Parameters

matrix ...

Definition at line 1199 of file cp_dbcsr_api.F.

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◆ dbcsr_transposed()

subroutine, public cp_dbcsr_api::dbcsr_transposed	(	type(dbcsr_type), intent(inout)	transposed,
		type(dbcsr_type), intent(in)	normal,
		logical, intent(in), optional	shallow_data_copy,
		logical, intent(in), optional	transpose_distribution,
		type(dbcsr_distribution_type), intent(in), optional	use_distribution
	)

...

Parameters

transposed	...
normal	...
shallow_data_copy	...
transpose_distribution	...
use_distribution	...

Definition at line 1217 of file cp_dbcsr_api.F.

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◆ dbcsr_valid_index()

logical function, public cp_dbcsr_api::dbcsr_valid_index ( type(dbcsr_type), intent(in) matrix )

...

Parameters

matrix ...

Returns: ...

Definition at line 1246 of file cp_dbcsr_api.F.

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◆ dbcsr_verify_matrix()

subroutine, public cp_dbcsr_api::dbcsr_verify_matrix	(	type(dbcsr_type), intent(in)	matrix,
		integer, intent(in), optional	verbosity,
		logical, intent(in), optional	local
	)

...

Parameters

matrix	...
verbosity	...
local	...

Definition at line 1263 of file cp_dbcsr_api.F.

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◆ dbcsr_work_create()

subroutine, public cp_dbcsr_api::dbcsr_work_create	(	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
	)

...

Parameters

matrix	...
nblks_guess	...
sizedata_guess	...
n	...
work_mutable	...

Definition at line 1283 of file cp_dbcsr_api.F.

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◆ dbcsr_dot_threadsafe()

subroutine, public cp_dbcsr_api::dbcsr_dot_threadsafe	(	type(dbcsr_type), intent(in)	matrix_a,
		type(dbcsr_type), intent(in)	matrix_b,
		real(kind=dp), intent(inout)	result
	)

...

Parameters

matrix_a	...
matrix_b	...
RESULT	...

Definition at line 1301 of file cp_dbcsr_api.F.

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Data Types

Functions/Subroutines

Function/Subroutine Documentation

◆ dbcsr_init_p()

◆ dbcsr_release_p()

◆ dbcsr_deallocate_matrix()

◆ dbcsr_add()

◆ dbcsr_binary_read()

◆ dbcsr_binary_write()

◆ dbcsr_clear()

◆ dbcsr_complete_redistribute()

◆ dbcsr_convert_csr_to_dbcsr()

◆ dbcsr_convert_dbcsr_to_csr()

◆ dbcsr_copy()

◆ dbcsr_csr_create_from_dbcsr()

◆ dbcsr_csr_create_and_convert_complex()

◆ dbcsr_desymmetrize()

◆ dbcsr_distribute()

◆ dbcsr_distribution_get()

◆ dbcsr_distribution_hold()

◆ dbcsr_distribution_new()

◆ dbcsr_distribution_release()

◆ dbcsr_filter()

◆ dbcsr_finalize()

◆ dbcsr_get_block_p()

◆ dbcsr_get_readonly_block_p()

◆ dbcsr_get_data_p()

◆ dbcsr_get_data_size()

◆ dbcsr_get_info()

◆ dbcsr_get_matrix_type()

◆ dbcsr_get_num_blocks()

◆ dbcsr_get_occupation()

◆ dbcsr_get_stored_coordinates()

◆ dbcsr_has_symmetry()

◆ dbcsr_iterator_blocks_left()

◆ dbcsr_iterator_next_block()

◆ dbcsr_iterator_start()

◆ dbcsr_iterator_readonly_start()

◆ dbcsr_iterator_stop()

◆ dbcsr_mp_grid_setup()

◆ dbcsr_multiply()

◆ dbcsr_put_block()

◆ dbcsr_release()

◆ dbcsr_replicate_all()

◆ dbcsr_reserve_blocks()

◆ dbcsr_scale()

◆ dbcsr_set()

◆ dbcsr_sum_replicated()

◆ dbcsr_transposed()

◆ dbcsr_valid_index()

◆ dbcsr_verify_matrix()

◆ dbcsr_work_create()

◆ dbcsr_dot_threadsafe()