dbcsr_type – DBCSR

type, public :: dbcsr_type

The BCSR sparse matrix type.

arrays data and index hold the bulk of the data.

Note

the pointers row_p, col_i, blk_p point into the index array.

Variables

serial_number valid name data_area index row_p col_i blk_p thr_c coo_l row_blk_size col_blk_size row_blk_offset col_blk_offset local_rows global_rows local_cols global_cols has_local_rows has_global_rows has_local_cols has_global_cols max_rbs max_cbs sparsity_id id_nr nblks nze nblkrows_total nblkcols_total nfullrows_total nfullcols_total nblkrows_local nblkcols_local nfullrows_local nfullcols_local data_type replication_type symmetry negate_real negate_imaginary bcsc local_indexing list_indexing data_memory_type index_memory_type buffers wms dist refcount work_mutable

Source Code

dbcsr_type

Components

Type	Visibility	Attributes		Name		Initial
integer,	public		::	serial_number	=	-1	a unique number of each created matrix
logical,	public		::	valid	=	.FALSE.	whether the matrix is valid (consistent)
character(len=default_string_length),	public		::	name	=	""	name of the matrix
type(dbcsr_data_obj),	public		::	data_area	=	dbcsr_data_obj()
integer,	public,	DIMENSION(:), POINTER, CONTIGUOUS	::	index	=>	Null()	agglomeration of the indices and offsets of pointers into this array.
integer,	public,	DIMENSION(:), POINTER	::	row_p	=>	Null()	points into the col_i and blk_p arrays, each element (1:nblkrows_total+1) points to the previous row's last element. So each rows has elements row_p(row)+1:row_p(row+1).
integer,	public,	DIMENSION(:), POINTER	::	col_i	=>	Null()	the global blocked column number of this block.
integer,	public,	DIMENSION(:), POINTER	::	blk_p	=>	Null()	the pointer into the data array of this block.
integer,	public,	DIMENSION(:), POINTER	::	thr_c	=>	Null()	elements/thread for list index
integer,	public,	DIMENSION(:), POINTER	::	coo_l	=>	Null()	coordinate list (used for direct indexing)
type(array_i1d_obj),	public		::	row_blk_size	=	array_i1d_obj()	sizes (rows in a block) of blocked rows
type(array_i1d_obj),	public		::	col_blk_size	=	array_i1d_obj()	sizes (columns in a block) of blocked columns
type(array_i1d_obj),	public		::	row_blk_offset	=	array_i1d_obj()	row offset (size = nrow+1)
type(array_i1d_obj),	public		::	col_blk_offset	=	array_i1d_obj()	col offset (size = ncol+1)
type(array_i1d_obj),	public		::	local_rows	=	array_i1d_obj()	Map of global to local rows when local indexing is enabled
type(array_i1d_obj),	public		::	global_rows	=	array_i1d_obj()
type(array_i1d_obj),	public		::	local_cols	=	array_i1d_obj()
type(array_i1d_obj),	public		::	global_cols	=	array_i1d_obj()
logical,	public		::	has_local_rows	=	.FALSE.
logical,	public		::	has_global_rows	=	.FALSE.
logical,	public		::	has_local_cols	=	.FALSE.
logical,	public		::	has_global_cols	=	.FALSE.
integer,	public		::	max_rbs	=	-1	maximal row sizes
integer,	public		::	max_cbs	=	-1	maximal column sizes
integer,	public		::	sparsity_id	=	-1
integer,	public		::	id_nr	=	-1
integer,	public		::	nblks	=	-1	number of blocks locally present
integer,	public		::	nze	=	-1	number of non-zero elements locally present
integer,	public		::	nblkrows_total	=	-1	size of entire matrix in blocked rows
integer,	public		::	nblkcols_total	=	-1	size of entire matrix in blocked columns
integer,	public		::	nfullrows_total	=	-1	size of entire matrix in full rows
integer,	public		::	nfullcols_total	=	-1	size of entire matrix in full columns
integer,	public		::	nblkrows_local	=	-1	size of local part of matrix in blocked rows
integer,	public		::	nblkcols_local	=	-1	size of local part of matrix in blocked columns
integer,	public		::	nfullrows_local	=	-1	size of local part of matrix in full rows
integer,	public		::	nfullcols_local	=	-1	size of local part of matrix in full columns
integer,	public		::	data_type	=	-1	'r'/'R' for single/double precision real or 'c'/'C' for single/double precision complex data
character(len=1),	public		::	replication_type	=	""	multi-process replication used in the matrix
logical,	public		::	symmetry	=	.FALSE.	matrix has symmetry
logical,	public		::	negate_real	=	.FALSE.	symmetry is realized by negating the real part
logical,	public		::	negate_imaginary	=	.FALSE.	symmetry is realized by negating complex part (i.e., antisymmetric)
logical,	public		::	bcsc	=	.FALSE.	BCS Column instead of BCS Row
logical,	public		::	local_indexing	=	.FALSE.	Local indexing of rows instead of global indexing.
logical,	public		::	list_indexing	=	.FALSE.
type(dbcsr_memtype_type),	public		::	data_memory_type	=	dbcsr_memtype_type()	memory type for data
type(dbcsr_memtype_type),	public		::	index_memory_type	=	dbcsr_memtype_type()	memory type for the index
type(dbcsr_block_buffer_obj),	public		::	buffers	=	dbcsr_block_buffer_obj()	Block buffers
type(dbcsr_work_type),	public,	DIMENSION(:), POINTER	::	wms	=>	Null()
type(dbcsr_distribution_obj),	public		::	dist	=	dbcsr_distribution_obj()	distribution used by this matrix
integer,	public		::	refcount	=	0	reference count
logical,	public		::	work_mutable	=	.FALSE.	uses the mutable data for working and not the append-only data

Source Code

   TYPE dbcsr_type
      !! The BCSR sparse matrix type.
      !!
      !! arrays data and index hold the bulk of the data.
      !! @note the pointers row_p, col_i, blk_p point into the index array.
      !! @endnote

      INTEGER                                      :: serial_number = -1
         !! a unique number of each created matrix
      LOGICAL                                      :: valid = .FALSE.
         !! whether the matrix is valid (consistent)
      CHARACTER(LEN=default_string_length)         :: name = ""
         !! name of the matrix
      TYPE(dbcsr_data_obj)                         :: data_area = dbcsr_data_obj()
      INTEGER, DIMENSION(:), POINTER, CONTIGUOUS   :: index => Null()
         !! agglomeration of the indices and offsets of pointers into this array.
      INTEGER, DIMENSION(:), POINTER               :: row_p => Null()
         !! points into the col_i and blk_p arrays, each element (1:nblkrows_total+1) points to the previous row's last element. So
         !! each rows has elements row_p(row)+1:row_p(row+1).
      INTEGER, DIMENSION(:), POINTER               :: col_i => Null()
         !! the global blocked column number of this block.
      INTEGER, DIMENSION(:), POINTER               :: blk_p => Null()
         !! the pointer into the data array of this block.
      INTEGER, DIMENSION(:), POINTER               :: thr_c => Null()
         !! elements/thread for list index
      INTEGER, DIMENSION(:), POINTER               :: coo_l => Null()
         !! coordinate list (used for direct indexing)
      TYPE(array_i1d_obj)                          :: row_blk_size = array_i1d_obj()
         !! sizes (rows in a block) of blocked rows
      TYPE(array_i1d_obj)                          :: col_blk_size = array_i1d_obj()
         !! sizes (columns in a block) of blocked columns
      TYPE(array_i1d_obj)                          :: row_blk_offset = array_i1d_obj()
         !! row offset (size = nrow+1)
      TYPE(array_i1d_obj)                          :: col_blk_offset = array_i1d_obj()
         !! col offset (size = ncol+1)
      TYPE(array_i1d_obj)                          :: local_rows = array_i1d_obj()
         !! Map of global to local rows when local indexing is enabled
      TYPE(array_i1d_obj)                          :: global_rows = array_i1d_obj()
      TYPE(array_i1d_obj)                          :: local_cols = array_i1d_obj()
      TYPE(array_i1d_obj)                          :: global_cols = array_i1d_obj()
      LOGICAL                                      :: has_local_rows = .FALSE.
      LOGICAL                                      :: has_global_rows = .FALSE.
      LOGICAL                                      :: has_local_cols = .FALSE.
      LOGICAL                                      :: has_global_cols = .FALSE.
      INTEGER                                      :: max_rbs = -1
         !! maximal row sizes
      INTEGER                                      :: max_cbs = -1
         !! maximal column sizes
      INTEGER                                      :: sparsity_id = -1
      INTEGER                                      :: id_nr = -1 ! use in sm_pool
      INTEGER                                      :: nblks = -1
         !! number of blocks locally present
      INTEGER                                      :: nze = -1
         !! number of non-zero elements locally present
      INTEGER                                      :: nblkrows_total = -1
         !! size of entire matrix in blocked rows
      INTEGER                                      :: nblkcols_total = -1
         !! size of entire matrix in blocked columns
      INTEGER                                      :: nfullrows_total = -1
         !! size of entire matrix in full rows
      INTEGER                                      :: nfullcols_total = -1
         !! size of entire matrix in full columns
      INTEGER                                      :: nblkrows_local = -1
         !! size of local part of matrix in blocked rows
      INTEGER                                      :: nblkcols_local = -1
         !! size of local part of matrix in blocked columns
      INTEGER                                      :: nfullrows_local = -1
         !! size of local part of matrix in full rows
      INTEGER                                      :: nfullcols_local = -1
         !! size of local part of matrix in full columns
      INTEGER                                      :: data_type = -1
         !! 'r'/'R' for single/double precision real or 'c'/'C' for single/double precision complex data
      CHARACTER                                    :: replication_type = ""
         !! multi-process replication used in the matrix
      LOGICAL                                      :: symmetry = .FALSE.
         !! matrix has symmetry
      LOGICAL                                      :: negate_real = .FALSE.
         !! symmetry is realized by negating the real part
      LOGICAL                                      :: negate_imaginary = .FALSE.
         !! symmetry is realized by negating complex part (i.e., antisymmetric)
      LOGICAL                                      :: bcsc = .FALSE.
         !! BCS Column instead of BCS Row
      LOGICAL                                      :: local_indexing = .FALSE.
         !! Local indexing of rows instead of global indexing.
      LOGICAL                                      :: list_indexing = .FALSE.
      TYPE(dbcsr_memtype_type)                     :: data_memory_type = dbcsr_memtype_type()
         !! memory type for data
      TYPE(dbcsr_memtype_type)                     :: index_memory_type = dbcsr_memtype_type()
         !! memory type for the index
      TYPE(dbcsr_block_buffer_obj)                 :: buffers = dbcsr_block_buffer_obj()
         !! Block buffers
      TYPE(dbcsr_work_type), DIMENSION(:), POINTER :: wms => Null()
      TYPE(dbcsr_distribution_obj)                 :: dist = dbcsr_distribution_obj()
         !! distribution used by this matrix
      INTEGER                                      :: refcount = 0
         !! reference count
      LOGICAL                                      :: work_mutable = .FALSE.
         !! uses the mutable data for working and not the append-only data
   END TYPE dbcsr_type

dbcsr_type Derived Type

Contents

Variables

Source Code

type, public :: dbcsr_type

Note

Contents

Variables

Source Code

Components

Source Code