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Public Member Functions | List of all members
q3::AugmentationChargeTable Class Referenceabstract

#include <charge_density_augmentation.hpp>

+ Inheritance diagram for q3::AugmentationChargeTable:

Public Member Functions

virtual ~AugmentationChargeTable ()=default
 
virtual Real interpolate_augmentation_function (int species_type_index, int projector_pair_index, int angular_momentum, Real q_value) const =0
 
virtual Real interpolate_augmentation_function_derivative (int species_type_index, int projector_pair_index, int angular_momentum, Real q_value) const =0
 
virtual Real interpolate_qfunc (int species_type_index, int projector_pair_index, Real q_value) const =0
 
virtual int maximum_angular_momentum_q () const =0
 

Detailed Description

Definition at line 21 of file charge_density_augmentation.hpp.

Constructor & Destructor Documentation

◆ ~AugmentationChargeTable()

virtual q3::AugmentationChargeTable::~AugmentationChargeTable ( )
virtualdefault

Member Function Documentation

◆ interpolate_augmentation_function()

virtual Real q3::AugmentationChargeTable::interpolate_augmentation_function ( int  species_type_index,
int  projector_pair_index,
int  angular_momentum,
Real  q_value 
) const
pure virtual

Interpolate Q_ij^L(q), the radial Fourier transform of Q_ij in channel L, at a given q value.

Implemented in q3::AugmentationQTable.

◆ interpolate_augmentation_function_derivative()

virtual Real q3::AugmentationChargeTable::interpolate_augmentation_function_derivative ( int  species_type_index,
int  projector_pair_index,
int  angular_momentum,
Real  q_value 
) const
pure virtual

Interpolate the derivative dQ_ij^L/dq of the radial Fourier transform of Q_ij in channel L.

Implemented in q3::AugmentationQTable.

◆ interpolate_qfunc()

virtual Real q3::AugmentationChargeTable::interpolate_qfunc ( int  species_type_index,
int  projector_pair_index,
Real  q_value 
) const
pure virtual

Interpolate the total (L=0) Q function at a given q value.

Implemented in q3::AugmentationQTable.

◆ maximum_angular_momentum_q()

virtual int q3::AugmentationChargeTable::maximum_angular_momentum_q ( ) const
pure virtual

Maximum angular momentum channel in the augmentation tables.

Implemented in q3::AugmentationQTable.

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