sirius::Radial_integrals_base< N > Class Template Reference

Base class for all kinds of radial integrals. More...

#include <radial_integrals.hpp>

Public Member Functions
	Radial_integrals_base (Unit_cell const &unit_cell__, double const qmax__, int const np__)
	Constructor. More...
std::pair< int, double >	iqdq (double q__) const
	Get starting index iq and delta dq for the q-point on the linear grid. More...
template<typename... Args>
double	value (Args... args, double q__) const
	Return value of the radial integral with specific indices. More...
int	nq () const
double	qmax () const

Protected Attributes
Unit_cell const &	unit_cell_
	Unit cell. More...
Radial_grid< double >	grid_q_
	Linear grid of q-points on which the interpolation of radial integrals is done. More...
splindex_block	spl_q_
	Split index of q-points. More...
sddk::mdarray< Spline< double >, N >	values_
	Array with integrals. More...
double	qmax_ {0}
	Maximum length of the reciprocal wave-vector. More...

Detailed Description

template<int N>
class sirius::Radial_integrals_base< N >

Base class for all kinds of radial integrals.

Definition at line 38 of file radial_integrals.hpp.

Constructor & Destructor Documentation

Radial_integrals_base()

template<int N>

sirius::Radial_integrals_base< N >::Radial_integrals_base ( Unit_cell const &  unit_cell__, double const  qmax__, int const  np__  )

inline

Constructor.

Definition at line 58 of file radial_integrals.hpp.

Member Function Documentation

iqdq()

template<int N>

std::pair< int, double > sirius::Radial_integrals_base< N >::iqdq ( double  q__ ) const

inline

Get starting index iq and delta dq for the q-point on the linear grid.

The following condition is satisfied: q = grid_q[iq] + dq

Definition at line 75 of file radial_integrals.hpp.

value()

template<int N>

template<typename... Args>

double sirius::Radial_integrals_base< N >::value ( Args...  args, double  q__  ) const

inline

Return value of the radial integral with specific indices.

Definition at line 96 of file radial_integrals.hpp.

nq()

template<int N>

int sirius::Radial_integrals_base< N >::nq ( ) const

inline

Definition at line 102 of file radial_integrals.hpp.

qmax()

template<int N>

double sirius::Radial_integrals_base< N >::qmax ( ) const

inline

Definition at line 107 of file radial_integrals.hpp.

Member Data Documentation

unit_cell_

template<int N>

Unit_cell const& sirius::Radial_integrals_base< N >::unit_cell_

protected

Unit cell.

Definition at line 42 of file radial_integrals.hpp.

grid_q_

template<int N>

Radial_grid<double> sirius::Radial_integrals_base< N >::grid_q_

protected

Linear grid of q-points on which the interpolation of radial integrals is done.

Definition at line 45 of file radial_integrals.hpp.

spl_q_

template<int N>

splindex_block sirius::Radial_integrals_base< N >::spl_q_

protected

Split index of q-points.

Definition at line 48 of file radial_integrals.hpp.

values_

template<int N>

sddk::mdarray<Spline<double>, N> sirius::Radial_integrals_base< N >::values_

protected

Array with integrals.

Definition at line 51 of file radial_integrals.hpp.

qmax_

template<int N>

double sirius::Radial_integrals_base< N >::qmax_ {0}

protected

Maximum length of the reciprocal wave-vector.

Definition at line 54 of file radial_integrals.hpp.

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

• radial_integrals.hpp