dftefe::atoms::SphericalDataNumerical::Func< memorySpace > Class Template Reference

#include <SphericalDataNumerical.h>

Public Member Functions
	Func ()
	Func (utils::Spline::Func< memorySpace > radialSpline, int l, int m, int mEff, double constant, double cutoff, double smoothness, double polarAngleTolerance, double cutoffTolerance, double radiusTolerance)
DFTEFE_HOST_DEVICE_FUNC double	getValue (const double *point, const double *origin) const
DFTEFE_HOST_DEVICE_FUNC void	getGradientValue (const double *point, const double *origin, double *grad) const

Private Attributes
utils::Spline::Func< memorySpace >	d_radialSpline
int	d_l
int	d_m
int	d_mEff
double	d_constant
double	d_cutoff
double	d_smoothness
double	d_polarAngleTolerance
double	d_cutoffTolerance
double	d_radiusTolerance

Constructor & Destructor Documentation

Func() [1/2]

template<dftefe::utils::MemorySpace memorySpace>

dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::Func

(

)

Func() [2/2]

template<dftefe::utils::MemorySpace memorySpace>

dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::Func	(	utils::Spline::Func< memorySpace >	radialSpline,
		int	l,
		int	m,
		int	mEff,
		double	constant,
		double	cutoff,
		double	smoothness,
		double	polarAngleTolerance,
		double	cutoffTolerance,
		double	radiusTolerance
	)

Member Function Documentation

getGradientValue()

template<dftefe::utils::MemorySpace memorySpace>

DFTEFE_HOST_DEVICE_FUNC void dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::getGradientValue	(	const double *	point,
		const double *	origin,
		double *	grad
	)		const

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getValue()

template<dftefe::utils::MemorySpace memorySpace>

DFTEFE_HOST_DEVICE_FUNC double dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::getValue	(	const double *	point,
		const double *	origin
	)		const

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Member Data Documentation

d_constant

template<dftefe::utils::MemorySpace memorySpace>

double dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_constant

private

d_cutoff

template<dftefe::utils::MemorySpace memorySpace>

double dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_cutoff

private

d_cutoffTolerance

template<dftefe::utils::MemorySpace memorySpace>

double dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_cutoffTolerance

private

d_l

template<dftefe::utils::MemorySpace memorySpace>

int dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_l

private

d_m

template<dftefe::utils::MemorySpace memorySpace>

int dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_m

private

d_mEff

template<dftefe::utils::MemorySpace memorySpace>

int dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_mEff

private

d_polarAngleTolerance

template<dftefe::utils::MemorySpace memorySpace>

double dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_polarAngleTolerance

private

d_radialSpline

template<dftefe::utils::MemorySpace memorySpace>

utils::Spline::Func<memorySpace> dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_radialSpline

private

d_radiusTolerance

template<dftefe::utils::MemorySpace memorySpace>

double dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_radiusTolerance

private

d_smoothness

template<dftefe::utils::MemorySpace memorySpace>

double dftefe::atoms::SphericalDataNumerical::Func< memorySpace >::d_smoothness

private

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

• src/atoms/SphericalDataNumerical.h
• src/atoms/SphericalDataNumericalKernels.h