#include <paw.hpp>

Inheritance diagram for q3::PawBetaFunctionTable:

Protected Member Functions
void	tabulate_projector (const Pseudopotential &pseudopotential, int projector_index, const std::vector< Real > &q_point_values, std::vector< Real > &destination) const override

Additional Inherited Members
Public Member Functions inherited from q3::BetaFunctionTable
	BetaFunctionTable ()=default

virtual	~BetaFunctionTable ()=default

void	initialize (const PlanewaveBasis &planewave_basis, const PseudopotentialSet &pseudopotential_set, int number_of_species_types)

void	initialize (const UniformQGrid &q_grid, const PseudopotentialSet &pseudopotential_set, int number_of_species_types)

Real	interpolate (int species_type_index, int beta_index, Real q_value) const

Real	interpolate_derivative (int species_type_index, int beta_index, Real q_value) const

int	number_of_q_points () const

const UniformQGrid &	q_grid () const

Real	q_spacing () const

Detailed Description

Definition at line 30 of file paw.hpp.

Member Function Documentation

◆ tabulate_projector()

void q3::PawBetaFunctionTable::tabulate_projector	(	const Pseudopotential &	pseudopotential,
		int	projector_index,
		const std::vector< Real > &	q_point_values,
		std::vector< Real > &	destination
	)		const

inlineoverrideprotectedvirtual

Fill one projector's β(q) at the given q values.

The base implementation is the spherical Bessel transform of the dataset's radial r·β(r). Subclasses override this per projector when the dataset supplies β in another representation, and may call this base implementation as the fallback for species they do not handle.

Reimplemented from q3::BetaFunctionTable.

Definition at line 32 of file paw.hpp.

References q3::resample_uniform_reciprocal_table(), and q3::BetaFunctionTable::tabulate_projector().

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

src/layer_3_representation/basis/planewave/pseudopotential/internal/beta_function_table/paw.hpp

Protected Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ tabulate_projector()