dbcsr_tensor_api Module

This is the start of a dbcsr_tensor_api, all publically 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.

Variables

Type	Visibility	Attributes		Name		Initial
character(len=*),	private,	parameter	::	moduleN	=	'dbcsr_tensor_api'

Functions

public function dbcsr_t_nd_mp_comm(comm_2d, map1_2d, map2_2d, dims_nd, dims1_nd, dims2_nd, pdims_2d, tdims, nsplit, dimsplit)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	comm_2d
integer,	intent(in),		DIMENSION(:)	::	map1_2d
integer,	intent(in),		DIMENSION(:)	::	map2_2d
integer,	intent(in),	optional,	DIMENSION(SIZE(map1_2d) + SIZE(map2_2d))	::	dims_nd
integer,	intent(in),	optional,	DIMENSION(SIZE(map1_2d))	::	dims1_nd
integer,	intent(in),	optional,	DIMENSION(SIZE(map2_2d))	::	dims2_nd
integer,	intent(in),	optional,	DIMENSION(2)	::	pdims_2d
integer,	intent(in),	optional,	DIMENSION(SIZE(map1_2d) + SIZE(map2_2d))	::	tdims
integer,	intent(in),	optional		::	nsplit
integer,	intent(in),	optional		::	dimsplit

Return Value type(dbcsr_t_pgrid_type)

Subroutines

public subroutine dbcsr_t_pgrid_create_expert(mp_comm, dims, pgrid, map1_2d, map2_2d, tensor_dims, nsplit, dimsplit)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	mp_comm
integer,	intent(inout),		DIMENSION(:)	::	dims
type(dbcsr_t_pgrid_type),	intent(out)			::	pgrid
integer,	intent(in),		DIMENSION(:)	::	map1_2d
integer,	intent(in),		DIMENSION(:)	::	map2_2d
integer,	intent(in),	optional,	DIMENSION(:)	::	tensor_dims
integer,	intent(in),	optional		::	nsplit
integer,	intent(in),	optional		::	dimsplit

public subroutine dbcsr_t_pgrid_create(mp_comm, dims, pgrid, tensor_dims)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	mp_comm
integer,	intent(inout),		DIMENSION(:)	::	dims
type(dbcsr_t_pgrid_type),	intent(out)			::	pgrid
integer,	intent(in),	optional,	DIMENSION(:)	::	tensor_dims