wfs_elec_oct_m Module Reference

Data Types
interface	wfs_elec_init
type	wfs_elec_t
	batches of electronic states More...

Functions/Subroutines
subroutine	wfs_elec_clone_to (this, dest, pack, copy_data, new_np, special, dest_type)
	clone to another wfs_elec_t object More...
subroutine	wfs_elec_clone_to_array (this, dest, n_batches, pack, copy_data, new_np, special, dest_type)
	clone the data to multipe wfs_elec_t objects More...
subroutine	wfs_elec_copy_to (this, dest, pack, copy_data, new_np, special, dest_type)
	copy the data of teh contained batch to another (existing) wfs_elec_t object More...
subroutine	wfs_elec_check_compatibility_with (this, target, only_check_dim, type_check)
	check whether the object is compatible with a target object More...
subroutine	wfs_elec_end (this, copy)
	finalze the object and the contained batch More...
subroutine	dwfs_elec_init_with_memory_3 (this, dim, st_start, st_end, psi, ik)
	initialize a wfs_elec_t object with given memory More...
subroutine	dwfs_elec_init_with_memory_2 (this, dim, st_start, st_end, psi, ik)
	initialize a wfs_elec_t object with given memory More...
subroutine, public	dwfs_elec_init (this, dim, st_start, st_end, np, ik, special, packed)
	initialize an empty wfs_elec_t object More...
subroutine	zwfs_elec_init_with_memory_3 (this, dim, st_start, st_end, psi, ik)
	initialize a wfs_elec_t object with given memory More...
subroutine	zwfs_elec_init_with_memory_2 (this, dim, st_start, st_end, psi, ik)
	initialize a wfs_elec_t object with given memory More...
subroutine, public	zwfs_elec_init (this, dim, st_start, st_end, np, ik, special, packed)
	initialize an empty wfs_elec_t object More...

Function/Subroutine Documentation

wfs_elec_clone_to()

subroutine wfs_elec_oct_m::wfs_elec_clone_to ( class(wfs_elec_t), intent(in)  this, class(batch_t), intent(out), allocatable  dest, logical, intent(in), optional  pack, logical, intent(in), optional  copy_data, integer, intent(in), optional  new_np, logical, intent(in), optional  special, type(type_t), intent(in), optional  dest_type  )

private

clone to another wfs_elec_t object

Parameters

[in]	this	source data
[out]	dest	destination (currently only wfs_elec_t)
[in]	pack	optional flag whether to pack
[in]	copy_data	optional flag whether to copy the data (deep copy)
[in]	new_np	optional number of points to copy
[in]	special	If present, this replace special in the logic below, i.e., we try to allocate on the GPU
[in]	dest_type	If present, this replaces the type of dest

Definition at line 171 of file wfs_elec.F90.

wfs_elec_clone_to_array()

subroutine wfs_elec_oct_m::wfs_elec_clone_to_array ( class(wfs_elec_t), intent(in)  this, class(batch_t), dimension(:), intent(out), allocatable  dest, integer, intent(in)  n_batches, logical, intent(in), optional  pack, logical, intent(in), optional  copy_data, integer, intent(in), optional  new_np, logical, intent(in), optional  special, type(type_t), intent(in), optional  dest_type  )

private

clone the data to multipe wfs_elec_t objects

Parameters

[in]	this	source
[out]	dest	multiple destinations; dimension (1:n_batches)
[in]	n_batches	number of batches to create
[in]	pack	optional flag whether to pack
[in]	copy_data	optional flag whether to copy the data (deep copy)
[in]	new_np	optional number of points to copy
[in]	special	If present, this replace special in the logic below, i.e., we try to allocate on the GPU
[in]	dest_type	If present, this replaces the type of dest

Definition at line 204 of file wfs_elec.F90.

wfs_elec_copy_to()

subroutine wfs_elec_oct_m::wfs_elec_copy_to ( class(wfs_elec_t), intent(in)  this, class(batch_t), intent(out)  dest, logical, intent(in), optional  pack, logical, intent(in), optional  copy_data, integer, intent(in), optional  new_np, logical, intent(in), optional  special, type(type_t), intent(in), optional  dest_type  )

private

copy the data of teh contained batch to another (existing) wfs_elec_t object

Parameters

[in]	this	source
[out]	dest	destination (currently only wfs_elec_t)
[in]	pack	optional flag whether to pack
[in]	copy_data	optional flag whether to copy the data (deep copy)
[in]	new_np	optional number of points to copy
[in]	special	allocate on GPU if needed
[in]	dest_type	If present, this replaces the type of dest

Definition at line 242 of file wfs_elec.F90.

wfs_elec_check_compatibility_with()

subroutine wfs_elec_oct_m::wfs_elec_check_compatibility_with ( class(wfs_elec_t), intent(in)  this, class(batch_t), intent(in)  target, logical, intent(in), optional  only_check_dim, logical, intent(in), optional  type_check  )

private

check whether the object is compatible with a target object

Compatibility here means that k-point and phase information agree, as well as the dimensions and optionally the data type

Parameters

[in]

type_check

omit type check

Definition at line 271 of file wfs_elec.F90.

wfs_elec_end()

subroutine wfs_elec_oct_m::wfs_elec_end ( class(wfs_elec_t), intent(inout)  this, logical, intent(in), optional  copy  )

private

finalze the object and the contained batch

Parameters

[in,out]	this	object to finalize
[in]	copy	copy the data back to the external memory, used to initialize the batch

Definition at line 295 of file wfs_elec.F90.

dwfs_elec_init_with_memory_3()

subroutine wfs_elec_oct_m::dwfs_elec_init_with_memory_3 ( type(wfs_elec_t), intent(out)  this, integer, intent(in)  dim, integer, intent(in)  st_start, integer, intent(in)  st_end, real(real64), dimension(:, :, st_start:), intent(inout), target, contiguous  psi, integer, intent(in)  ik  )

private

initialize a wfs_elec_t object with given memory

wrapper to batch_oct_m::dbatch_init_with_memory_3

Parameters

[out]	this	the wfs_elec_t object
[in]	dim	spinor dimensions
[in]	st_start	start index for states
[in]	st_end	end index for states
[in]	ik	k point index
[in,out]	psi	states to use for the object

Definition at line 357 of file wfs_elec.F90.

dwfs_elec_init_with_memory_2()

subroutine wfs_elec_oct_m::dwfs_elec_init_with_memory_2 ( type(wfs_elec_t), intent(out)  this, integer, intent(in)  dim, integer, intent(in)  st_start, integer, intent(in)  st_end, real(real64), dimension(:, :), intent(inout), target, contiguous  psi, integer, intent(in)  ik  )

private

initialize a wfs_elec_t object with given memory

wrapper to batch_oct_m::dbatch_init_with_memory_2

Parameters

[out]	this	the wfs_elec_t object
[in]	dim	spinor dimensions
[in]	st_start	start index for states
[in]	st_end	end index for states
[in]	ik	k point index
[in,out]	psi	states to use for the object

Definition at line 379 of file wfs_elec.F90.

dwfs_elec_init()

subroutine, public wfs_elec_oct_m::dwfs_elec_init	(	type(wfs_elec_t), intent(inout)	this,
		integer, intent(in)	dim,
		integer, intent(in)	st_start,
		integer, intent(in)	st_end,
		integer, intent(in)	np,
		integer, intent(in)	ik,
		logical, intent(in), optional	special,
		logical, intent(in), optional	packed
	)

initialize an empty wfs_elec_t object

wrapper to batch_oct_m::batch_init

Parameters

[in,out]	this	the wfs_elec_t object
[in]	dim	spinor dimensions
[in]	st_start	start index for states
[in]	st_end	end index for states
[in]	np	number of points
[in]	ik	k point index
[in]	special	optional flag;
[in]	packed	optional flag whether to pack the batch

Definition at line 403 of file wfs_elec.F90.

zwfs_elec_init_with_memory_3()

subroutine wfs_elec_oct_m::zwfs_elec_init_with_memory_3 ( type(wfs_elec_t), intent(out)  this, integer, intent(in)  dim, integer, intent(in)  st_start, integer, intent(in)  st_end, complex(real64), dimension(:, :, st_start:), intent(inout), target, contiguous  psi, integer, intent(in)  ik  )

private

initialize a wfs_elec_t object with given memory

wrapper to batch_oct_m::zbatch_init_with_memory_3

Parameters

[out]	this	the wfs_elec_t object
[in]	dim	spinor dimensions
[in]	st_start	start index for states
[in]	st_end	end index for states
[in]	ik	k point index
[in,out]	psi	states to use for the object

Definition at line 501 of file wfs_elec.F90.

zwfs_elec_init_with_memory_2()

subroutine wfs_elec_oct_m::zwfs_elec_init_with_memory_2 ( type(wfs_elec_t), intent(out)  this, integer, intent(in)  dim, integer, intent(in)  st_start, integer, intent(in)  st_end, complex(real64), dimension(:, :), intent(inout), target, contiguous  psi, integer, intent(in)  ik  )

private

initialize a wfs_elec_t object with given memory

wrapper to batch_oct_m::zbatch_init_with_memory_2

Parameters

[out]	this	the wfs_elec_t object
[in]	dim	spinor dimensions
[in]	st_start	start index for states
[in]	st_end	end index for states
[in]	ik	k point index
[in,out]	psi	states to use for the object

Definition at line 523 of file wfs_elec.F90.

zwfs_elec_init()

subroutine, public wfs_elec_oct_m::zwfs_elec_init	(	type(wfs_elec_t), intent(inout)	this,
		integer, intent(in)	dim,
		integer, intent(in)	st_start,
		integer, intent(in)	st_end,
		integer, intent(in)	np,
		integer, intent(in)	ik,
		logical, intent(in), optional	special,
		logical, intent(in), optional	packed
	)

initialize an empty wfs_elec_t object

wrapper to batch_oct_m::batch_init

Parameters

[in,out]	this	the wfs_elec_t object
[in]	dim	spinor dimensions
[in]	st_start	start index for states
[in]	st_end	end index for states
[in]	np	number of points
[in]	ik	k point index
[in]	special	optional flag;
[in]	packed	optional flag whether to pack the batch

Definition at line 547 of file wfs_elec.F90.