There are several ways how to call batch_set_state and batch_get_state: More...

Detailed Description

There are several ways how to call batch_set_state and batch_get_state:

With a 1d array and a single index: batch_get_state(psib, ist, np, psi) In this case, ist is between 1 and nst_linear of the batch (i.e. it is the linear index in the batch) and this call will fetch the first np points of that part of the batch.
With a 1d array and an index tuple: batch_get_state(psib, (/ist, idim/), np, psi) In this case, ist corresponds to the real state index in the system, i.e., it should be between states_elec_block_min(st, ib) and states_elec_block_max(st, ib) for the batch with index ib. idim gives the spin space index.
With a 2d array and a single index: batch_get_state(psib, ist, np, psi(:, :)) In this case, ist is between 1 and nst of the batch (i.e. the state index of the batch) and this call will fetch the wavefunctions for all spin indices for that state index. This is more efficient than looping over spin space and getting the wavefunctions for different spin indices individually.

Definition at line 221 of file batch_ops.F90.

Private Member Functions
subroutine	dbatch_set_state1 (this, ist, np, psi)
	Write a single state with np points into a batch at position ist. More...

subroutine	zbatch_set_state1 (this, ist, np, psi)
	Write a single state with np points into a batch at position ist. More...

subroutine	sbatch_set_state1 (this, ist, np, psi)
	Write a single state with np points into a batch at position ist. More...

subroutine	cbatch_set_state1 (this, ist, np, psi)
	Write a single state with np points into a batch at position ist. More...

subroutine	dbatch_set_state2 (this, index, np, psi)
	Write a single state with np points into a batch at position defined by index. More...

subroutine	zbatch_set_state2 (this, index, np, psi)
	Write a single state with np points into a batch at position defined by index. More...

subroutine	sbatch_set_state2 (this, index, np, psi)
	Write a single state with np points into a batch at position defined by index. More...

subroutine	cbatch_set_state2 (this, index, np, psi)
	Write a single state with np points into a batch at position defined by index. More...

subroutine	dbatch_set_state3 (this, ii, np, psi)
	Write a set of state with np points into a batch. More...

subroutine	zbatch_set_state3 (this, ii, np, psi)
	Write a set of state with np points into a batch. More...

subroutine	sbatch_set_state3 (this, ii, np, psi)
	Write a set of state with np points into a batch. More...

subroutine	cbatch_set_state3 (this, ii, np, psi)
	Write a set of state with np points into a batch. More...

Member Function/Subroutine Documentation

◆ dbatch_set_state1()

subroutine batch_ops_oct_m::batch_set_state::dbatch_set_state1	(	class(batch_t), intent(inout)	this,
		integer, intent(in)	ist,
		integer, intent(in)	np,
		real(real64), dimension(:), intent(in), contiguous	psi
	)

private

Write a single state with np points into a batch at position ist.

Parameters

[in,out]	this	batch to write the state to
[in]	ist	position where to write
[in]	np	number of points
[in]	psi	the state to write

Definition at line 1145 of file batch_ops.F90.

◆ zbatch_set_state1()

subroutine batch_ops_oct_m::batch_set_state::zbatch_set_state1	(	class(batch_t), intent(inout)	this,
		integer, intent(in)	ist,
		integer, intent(in)	np,
		complex(real64), dimension(:), intent(in), contiguous	psi
	)

private

Write a single state with np points into a batch at position ist.

Parameters

[in,out]	this	batch to write the state to
[in]	ist	position where to write
[in]	np	number of points
[in]	psi	the state to write

Definition at line 3095 of file batch_ops.F90.

◆ sbatch_set_state1()

subroutine batch_ops_oct_m::batch_set_state::sbatch_set_state1	(	class(batch_t), intent(inout)	this,
		integer, intent(in)	ist,
		integer, intent(in)	np,
		real(real32), dimension(:), intent(in), contiguous	psi
	)

private

Write a single state with np points into a batch at position ist.

Parameters

[in,out]	this	batch to write the state to
[in]	ist	position where to write
[in]	np	number of points
[in]	psi	the state to write

Definition at line 8355 of file batch_ops.F90.

◆ cbatch_set_state1()

subroutine batch_ops_oct_m::batch_set_state::cbatch_set_state1	(	class(batch_t), intent(inout)	this,
		integer, intent(in)	ist,
		integer, intent(in)	np,
		complex(real32), dimension(:), intent(in), contiguous	psi
	)

private

Write a single state with np points into a batch at position ist.

Parameters

[in,out]	this	batch to write the state to
[in]	ist	position where to write
[in]	np	number of points
[in]	psi	the state to write

Definition at line 8849 of file batch_ops.F90.

◆ dbatch_set_state2()

subroutine batch_ops_oct_m::batch_set_state::dbatch_set_state2	(	class(batch_t), intent(inout)	this,
		integer, dimension(:), intent(in)	index,
		integer, intent(in)	np,
		real(real64), dimension(:), intent(in), contiguous	psi
	)

private

Write a single state with np points into a batch at position defined by index.

Parameters

[in,out]	this	batch to write the state into
[in]	index	how to access the state. For further information see batch_ops_oct_m::batch_set_state
[in]	np	number of points
[in]	psi	state to write to the batch

Definition at line 1257 of file batch_ops.F90.

◆ zbatch_set_state2()

subroutine batch_ops_oct_m::batch_set_state::zbatch_set_state2	(	class(batch_t), intent(inout)	this,
		integer, dimension(:), intent(in)	index,
		integer, intent(in)	np,
		complex(real64), dimension(:), intent(in), contiguous	psi
	)

private

Write a single state with np points into a batch at position defined by index.

Parameters

[in,out]	this	batch to write the state into
[in]	index	how to access the state. For further information see batch_ops_oct_m::batch_set_state
[in]	np	number of points
[in]	psi	state to write to the batch

Definition at line 3203 of file batch_ops.F90.

◆ sbatch_set_state2()

subroutine batch_ops_oct_m::batch_set_state::sbatch_set_state2	(	class(batch_t), intent(inout)	this,
		integer, dimension(:), intent(in)	index,
		integer, intent(in)	np,
		real(real32), dimension(:), intent(in), contiguous	psi
	)

private

Write a single state with np points into a batch at position defined by index.

Parameters

[in,out]	this	batch to write the state into
[in]	index	how to access the state. For further information see batch_ops_oct_m::batch_set_state
[in]	np	number of points
[in]	psi	state to write to the batch

Definition at line 8476 of file batch_ops.F90.

◆ cbatch_set_state2()

subroutine batch_ops_oct_m::batch_set_state::cbatch_set_state2	(	class(batch_t), intent(inout)	this,
		integer, dimension(:), intent(in)	index,
		integer, intent(in)	np,
		complex(real32), dimension(:), intent(in), contiguous	psi
	)

private

Write a single state with np points into a batch at position defined by index.

Parameters

[in,out]	this	batch to write the state into
[in]	index	how to access the state. For further information see batch_ops_oct_m::batch_set_state
[in]	np	number of points
[in]	psi	state to write to the batch

Definition at line 8957 of file batch_ops.F90.

◆ dbatch_set_state3()

subroutine batch_ops_oct_m::batch_set_state::dbatch_set_state3	(	class(batch_t), intent(inout)	this,
		integer, intent(in)	ii,
		integer, intent(in)	np,
		real(real64), dimension(:, :), intent(in), contiguous	psi
	)

private

Write a set of state with np points into a batch.

Parameters

[in,out]	this	batch to write the states into
[in]	ii	position
[in]	np	number of points
[in]	psi	states to write

Definition at line 1275 of file batch_ops.F90.

◆ zbatch_set_state3()

subroutine batch_ops_oct_m::batch_set_state::zbatch_set_state3	(	class(batch_t), intent(inout)	this,
		integer, intent(in)	ii,
		integer, intent(in)	np,
		complex(real64), dimension(:, :), intent(in), contiguous	psi
	)

private

Write a set of state with np points into a batch.

Parameters

[in,out]	this	batch to write the states into
[in]	ii	position
[in]	np	number of points
[in]	psi	states to write

Definition at line 3221 of file batch_ops.F90.

◆ sbatch_set_state3()

subroutine batch_ops_oct_m::batch_set_state::sbatch_set_state3	(	class(batch_t), intent(inout)	this,
		integer, intent(in)	ii,
		integer, intent(in)	np,
		real(real32), dimension(:, :), intent(in), contiguous	psi
	)

private

Write a set of state with np points into a batch.

Parameters

[in,out]	this	batch to write the states into
[in]	ii	position
[in]	np	number of points
[in]	psi	states to write

Definition at line 8494 of file batch_ops.F90.

◆ cbatch_set_state3()

subroutine batch_ops_oct_m::batch_set_state::cbatch_set_state3	(	class(batch_t), intent(inout)	this,
		integer, intent(in)	ii,
		integer, intent(in)	np,
		complex(real32), dimension(:, :), intent(in), contiguous	psi
	)

private

Write a set of state with np points into a batch.

Parameters

[in,out]	this	batch to write the states into
[in]	ii	position
[in]	np	number of points
[in]	psi	states to write

Definition at line 8975 of file batch_ops.F90.

The documentation for this interface was generated from the following file:

grid/batch_ops.F90

Detailed Description

Private Member Functions

Member Function/Subroutine Documentation

◆ dbatch_set_state1()

◆ zbatch_set_state1()

◆ sbatch_set_state1()

◆ cbatch_set_state1()

◆ dbatch_set_state2()

◆ zbatch_set_state2()

◆ sbatch_set_state2()

◆ cbatch_set_state2()

◆ dbatch_set_state3()

◆ zbatch_set_state3()

◆ sbatch_set_state3()

◆ cbatch_set_state3()