kpoint_lattice_fft.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	kpoint_lattice_fft::k_grid_to_cell_work_type

Modules
module	kpoint_lattice_fft
	Batched lattice Fourier transforms on regular k-point grids.

Functions/Subroutines
logical function, public	kpoint_lattice_fft::regular_kpoint_grid (xkp, nkp_grid, grid_index, k_offset, allow_incomplete)
	Test and map a uniformly shifted reciprocal grid or an explicitly allowed subset.
logical function, public	kpoint_lattice_fft::lattice_fft_shape (n, nfft, allow_arbitrary)
	Find backend-supported FFT dimensions that preserve the original lattice grid. Sample the padded transform at integer multiples of the original cell indices.
subroutine, public	kpoint_lattice_fft::cell_to_k_grid_fft (values_rs, index_to_cell, xkp, nkp_grid, values_k, used_fft, deriv_direction, hmat, selected_kpoints)
	Transform a batch of real matrices from image cells to every supplied k point.
subroutine, public	kpoint_lattice_fft::k_grid_to_cell_fft (values_k, xkp, nkp_grid, index_to_cell, values_rs, used_fft, weights, allow_incomplete)
	Transform reciprocal-grid data back to image-cell values.
subroutine, public	kpoint_lattice_fft::k_grid_to_cell_prepare (work, xkp, nkp_grid, index_to_cell, weights, allow_incomplete)
	Prepare one inverse lattice transform for repeated matrix batches.
subroutine, public	kpoint_lattice_fft::k_grid_to_cell_execute (work, values_k, values_rs, used_fft)
	Execute a matrix batch using the prepared inverse lattice transform. Call outside OpenMP worker regions: fft_tools owns its shared pool and planner.
subroutine, public	kpoint_lattice_fft::k_grid_to_cell_release (work)
	Release call-scoped inverse lattice maps and FFT buffers.