#include <beta_projectors_base.hpp>

Public Types
typedef std::complex< T >	complex_t

typedef sddk::mdarray< complex_t, 3 >	array_t

Public Member Functions
	Beta_projector_generator (Simulation_context &ctx, array_t const &pw_coeffs_t_host, sddk::matrix< std::complex< T > > const &beta_pw_all, sddk::device_t processing_unit, std::vector< beta_chunk_t > const &beta_chunks, fft::Gvec const &gkvec, sddk::mdarray< double, 2 > const &gkvec_coord, int num_gkvec_loc)

void	generate (beta_projectors_coeffs_t< T > &coeffs, int ichunk, int j) const

void	generate (beta_projectors_coeffs_t< T > &coeffs, int ichunk) const

beta_projectors_coeffs_t< T >	prepare () const

Simulation_context &	ctx ()

int	num_chunks () const

const auto &	chunks () const

auto	device_t () const -> sddk::device_t

Private Attributes
Simulation_context &	ctx_
	Simulation context. More...

array_t const &	pw_coeffs_t_host_
	Beta-projectors for atom-types. More...

array_t	pw_coeffs_t_device_
	Beta-projectors for atom-types on device. More...

sddk::matrix< complex_t > const &	beta_pw_all_atoms_
	Precomputed beta coefficients on CPU. More...

sddk::device_t	processing_unit_
	Processing unit. More...

std::vector< beta_chunk_t > const &	beta_chunks_
	Chunk descriptors. More...

fft::Gvec const &	gkvec_
	G+k vectors. More...

sddk::mdarray< double, 2 > const &	gkvec_coord_
	Coordinates of G+k vectors. More...

int	num_gkvec_loc_
	Local number of G+k vectors. More...

int	max_num_beta_
	Maximum number of beta-projectors. More...

Detailed Description

template<typename T>
class sirius::Beta_projector_generator< T >

Generates beta projector PW coefficients and holds GPU memory phase-factor independent coefficients of |> functions for atom types.

Definition at line 174 of file beta_projectors_base.hpp.

Member Typedef Documentation

◆ complex_t

template<typename T >

typedef std::complex<T> sirius::Beta_projector_generator< T >::complex_t

Definition at line 177 of file beta_projectors_base.hpp.

◆ array_t

template<typename T >

typedef sddk::mdarray<complex_t, 3> sirius::Beta_projector_generator< T >::array_t

Definition at line 178 of file beta_projectors_base.hpp.

Constructor & Destructor Documentation

◆ Beta_projector_generator()

template<typename T >

sirius::Beta_projector_generator< T >::Beta_projector_generator	(	Simulation_context &	ctx,
		array_t const &	pw_coeffs_t_host,
		sddk::matrix< std::complex< T > > const &	beta_pw_all,
		sddk::device_t	processing_unit,
		std::vector< beta_chunk_t > const &	beta_chunks,
		fft::Gvec const &	gkvec,
		sddk::mdarray< double, 2 > const &	gkvec_coord,
		int	num_gkvec_loc
	)

Definition at line 234 of file beta_projectors_base.hpp.

Member Function Documentation

◆ generate() [1/2]

template<class T >

void sirius::Beta_projector_generator< T >::generate	(	beta_projectors_coeffs_t< T > &	coeffs,
		int	ichunk,
		int	j
	)		const

Definition at line 283 of file beta_projectors_base.cpp.

◆ generate() [2/2]

template<class T >

void sirius::Beta_projector_generator< T >::generate	(	beta_projectors_coeffs_t< T > &	coeffs,
		int	ichunk
	)		const

Definition at line 253 of file beta_projectors_base.cpp.

◆ prepare()

template<typename T >

beta_projectors_coeffs_t< T > sirius::Beta_projector_generator< T >::prepare

Definition at line 265 of file beta_projectors_base.hpp.

◆ ctx()

template<typename T >

Simulation_context & sirius::Beta_projector_generator< T >::ctx ( )

inline

Definition at line 191 of file beta_projectors_base.hpp.

◆ num_chunks()

template<typename T >

int sirius::Beta_projector_generator< T >::num_chunks ( ) const

inline

Definition at line 195 of file beta_projectors_base.hpp.

◆ chunks()

template<typename T >

const auto & sirius::Beta_projector_generator< T >::chunks ( ) const

inline

Definition at line 200 of file beta_projectors_base.hpp.

◆ device_t()

template<typename T >

auto sirius::Beta_projector_generator< T >::device_t ( ) const -> sddk::device_t

inline

Definition at line 205 of file beta_projectors_base.hpp.

Member Data Documentation

◆ ctx_

template<typename T >

Simulation_context& sirius::Beta_projector_generator< T >::ctx_

private

Simulation context.

Definition at line 212 of file beta_projectors_base.hpp.

◆ pw_coeffs_t_host_

template<typename T >

array_t const& sirius::Beta_projector_generator< T >::pw_coeffs_t_host_

private

Beta-projectors for atom-types.

Definition at line 214 of file beta_projectors_base.hpp.

◆ pw_coeffs_t_device_

template<typename T >

array_t sirius::Beta_projector_generator< T >::pw_coeffs_t_device_

private

Beta-projectors for atom-types on device.

Definition at line 216 of file beta_projectors_base.hpp.

◆ beta_pw_all_atoms_

template<typename T >

sddk::matrix<complex_t> const& sirius::Beta_projector_generator< T >::beta_pw_all_atoms_

private

Precomputed beta coefficients on CPU.

Definition at line 218 of file beta_projectors_base.hpp.

◆ processing_unit_

template<typename T >

sddk::device_t sirius::Beta_projector_generator< T >::processing_unit_

private

Processing unit.

Definition at line 220 of file beta_projectors_base.hpp.

◆ beta_chunks_

template<typename T >

std::vector<beta_chunk_t> const& sirius::Beta_projector_generator< T >::beta_chunks_

private

Chunk descriptors.

Definition at line 222 of file beta_projectors_base.hpp.

◆ gkvec_

template<typename T >

fft::Gvec const& sirius::Beta_projector_generator< T >::gkvec_

private

G+k vectors.

Definition at line 224 of file beta_projectors_base.hpp.

◆ gkvec_coord_

template<typename T >

sddk::mdarray<double, 2> const& sirius::Beta_projector_generator< T >::gkvec_coord_

private

Coordinates of G+k vectors.

Definition at line 226 of file beta_projectors_base.hpp.

◆ num_gkvec_loc_

template<typename T >

int sirius::Beta_projector_generator< T >::num_gkvec_loc_

private

Local number of G+k vectors.

Definition at line 228 of file beta_projectors_base.hpp.

◆ max_num_beta_

template<typename T >

int sirius::Beta_projector_generator< T >::max_num_beta_

private

Maximum number of beta-projectors.

Definition at line 230 of file beta_projectors_base.hpp.

The documentation for this class was generated from the following files:

Public Types

Public Member Functions

Private Attributes

Detailed Description

Member Typedef Documentation

◆ complex_t

◆ array_t

Constructor & Destructor Documentation

◆ Beta_projector_generator()

Member Function Documentation

◆ generate() [1/2]

◆ generate() [2/2]

◆ prepare()

◆ ctx()

◆ num_chunks()

◆ chunks()

◆ device_t()

Member Data Documentation

◆ ctx_

◆ pw_coeffs_t_host_

◆ pw_coeffs_t_device_

◆ beta_pw_all_atoms_

◆ processing_unit_

◆ beta_chunks_

◆ gkvec_

◆ gkvec_coord_

◆ num_gkvec_loc_

◆ max_num_beta_