Data Types
type	fourier_space_op_t

Functions/Subroutines
subroutine	fourier_space_op_t_init (this, space, qq, cam, singularity)
	Initialise a Fourier space Op instance. More...

subroutine, public	cube_function_alloc_fs (cube, cf, force_alloc)
	Allocates locally the Fourier space grid, if PFFT library is not used. Otherwise, it assigns the PFFT Fourier space grid to the cube Fourier space grid, via pointer. More...

subroutine, public	cube_function_free_fs (cube, cf)
	Deallocates the Fourier space grid. More...

subroutine, public	fourier_space_op_end (this)

subroutine, public	dcube_function_rs2fs (cube, cf)
	The following routines convert the function between real space and Fourier space Note that the dimensions of the function in fs are different depending on whether f is real or complex, because the FFT representation is different (FFTW scheme). More...

subroutine, public	dcube_function_fs2rs (cube, cf)

subroutine, public	dfourier_space_op_init (this, cube, op, in_device, op_move)
	The operator can be provided either through `op` (which is copied) or through `op_move` (an allocatable that is taken over via move_alloc, avoiding a full-grid copy). Exactly one of the two must be present. More...

subroutine, public	dfourier_space_op_apply (this, cube, cf)
	Applies a multiplication factor to the Fourier space grid. This is a local function. More...

subroutine, public	zcube_function_rs2fs (cube, cf)
	The following routines convert the function between real space and Fourier space Note that the dimensions of the function in fs are different depending on whether f is real or complex, because the FFT representation is different (FFTW scheme). More...

subroutine, public	zcube_function_fs2rs (cube, cf)

subroutine, public	zfourier_space_op_init (this, cube, op, in_device, op_move)
	The operator can be provided either through `op` (which is copied) or through `op_move` (an allocatable that is taken over via move_alloc, avoiding a full-grid copy). Exactly one of the two must be present. More...

subroutine, public	zfourier_space_op_apply (this, cube, cf)
	Applies a multiplication factor to the Fourier space grid. This is a local function. More...

Variables
real(real64), parameter	tol_vanishing_q = 1e-6_real64

Function/Subroutine Documentation

◆ fourier_space_op_t_init()

subroutine fourier_space_oct_m::fourier_space_op_t_init	(	class(fourier_space_op_t), intent(inout)	this,
		class(space_t), intent(in)	space,
		real(real64), dimension(:), intent(in)	qq,
		type(xc_cam_t), intent(in)	cam,
		real(real64), intent(in), optional	singularity
	)

private

Initialise a Fourier space Op instance.

Parameters

[in]	qq	q-vector
[in]	cam	CAM parameters
[in]	singularity	Must be defined for all but the short-range Coulomb potential

Definition at line 178 of file fourier_space.F90.

◆ cube_function_alloc_fs()

subroutine, public fourier_space_oct_m::cube_function_alloc_fs	(	type(cube_t), intent(in), target	cube,
		type(cube_function_t), intent(inout)	cf,
		logical, intent(in), optional	force_alloc
	)

Allocates locally the Fourier space grid, if PFFT library is not used. Otherwise, it assigns the PFFT Fourier space grid to the cube Fourier space grid, via pointer.

Definition at line 206 of file fourier_space.F90.

◆ cube_function_free_fs()

subroutine, public fourier_space_oct_m::cube_function_free_fs	(	type(cube_t), intent(in)	cube,
		type(cube_function_t), intent(inout)	cf
	)

Deallocates the Fourier space grid.

Definition at line 266 of file fourier_space.F90.

◆ fourier_space_op_end()

subroutine, public fourier_space_oct_m::fourier_space_op_end ( type(fourier_space_op_t), intent(inout) this )

Definition at line 306 of file fourier_space.F90.

◆ dcube_function_rs2fs()

subroutine, public fourier_space_oct_m::dcube_function_rs2fs	(	type(cube_t), intent(in)	cube,
		type(cube_function_t), intent(inout)	cf
	)

The following routines convert the function between real space and Fourier space Note that the dimensions of the function in fs are different depending on whether f is real or complex, because the FFT representation is different (FFTW scheme).

Definition at line 393 of file fourier_space.F90.

◆ dcube_function_fs2rs()

subroutine, public fourier_space_oct_m::dcube_function_fs2rs	(	type(cube_t), intent(in)	cube,
		type(cube_function_t), intent(inout)	cf
	)

Definition at line 415 of file fourier_space.F90.

◆ dfourier_space_op_init()

subroutine, public fourier_space_oct_m::dfourier_space_op_init	(	type(fourier_space_op_t), intent(inout)	this,
		type(cube_t), intent(in)	cube,
		real(real64), dimension(:, :, :), intent(in), optional, target	op,
		logical, intent(in), optional	in_device,
		real(real64), dimension(:, :, :), intent(inout), optional, allocatable, target	op_move
	)

The operator can be provided either through op (which is copied) or through op_move (an allocatable that is taken over via move_alloc, avoiding a full-grid copy). Exactly one of the two must be present.

Definition at line 440 of file fourier_space.F90.

◆ dfourier_space_op_apply()

subroutine, public fourier_space_oct_m::dfourier_space_op_apply	(	type(fourier_space_op_t), intent(in)	this,
		type(cube_t), intent(in)	cube,
		type(cube_function_t), intent(inout)	cf
	)

Applies a multiplication factor to the Fourier space grid. This is a local function.

Definition at line 532 of file fourier_space.F90.

◆ zcube_function_rs2fs()

subroutine, public fourier_space_oct_m::zcube_function_rs2fs	(	type(cube_t), intent(in)	cube,
		type(cube_function_t), intent(inout)	cf
	)

The following routines convert the function between real space and Fourier space Note that the dimensions of the function in fs are different depending on whether f is real or complex, because the FFT representation is different (FFTW scheme).

Definition at line 724 of file fourier_space.F90.

◆ zcube_function_fs2rs()

subroutine, public fourier_space_oct_m::zcube_function_fs2rs	(	type(cube_t), intent(in)	cube,
		type(cube_function_t), intent(inout)	cf
	)

Definition at line 746 of file fourier_space.F90.

◆ zfourier_space_op_init()

subroutine, public fourier_space_oct_m::zfourier_space_op_init	(	type(fourier_space_op_t), intent(inout)	this,
		type(cube_t), intent(in)	cube,
		complex(real64), dimension(:, :, :), intent(in), optional, target	op,
		logical, intent(in), optional	in_device,
		complex(real64), dimension(:, :, :), intent(inout), optional, allocatable, target	op_move
	)

The operator can be provided either through op (which is copied) or through op_move (an allocatable that is taken over via move_alloc, avoiding a full-grid copy). Exactly one of the two must be present.

Definition at line 771 of file fourier_space.F90.

◆ zfourier_space_op_apply()

subroutine, public fourier_space_oct_m::zfourier_space_op_apply	(	type(fourier_space_op_t), intent(in)	this,
		type(cube_t), intent(in)	cube,
		type(cube_function_t), intent(inout)	cf
	)

Applies a multiplication factor to the Fourier space grid. This is a local function.

Definition at line 863 of file fourier_space.F90.

Variable Documentation

◆ tol_vanishing_q

real(real64), parameter fourier_space_oct_m::tol_vanishing_q = 1e-6_real64