G-space radial function stored on a uniform grid (of |G|) More...

#include <RadialFunction.h>

Public Member Functions
const double *	coeffPref () const

__hostanddev__ const double *	getCoeff () const

void	init (int l, int nSamples, double dG, const char *filename, double scale=1.0)
	read and initialize from an ascii file (DFT PSP format)

void	init (int l, const std::vector< double > &samples, double dG)
	initialize from an array of samples in memory

void	set (const std::vector< double > &coeff, double dGInv)
	set the coefficients (and update the GPU versions etc.)

void	updateGmax (int l, int nSamples)
	if created from a RadialFunctionR, increase nCoeff if necessary (call when lattice is modified)

void	free (bool rFuncDelete=true)

__hostanddev__ double	operator() (double G) const
	Blip (quintic spline evaluation)

__hostanddev__ double	deriv (double G) const

template<typename Func , typename... Args>
void	init (int l, double dG, double Gmax, const Func &func, Args... args)
	Helper functional for initializing using a function.

	operator bool () const
	test null-ness

Static Public Member Functions
static double	cusplessExpTilde (double G, double norm, double a)

static double	exponentialTilde (double G, double norm, double a)

static double	gaussTilde (double G, double norm, double sigma)

Public Attributes
double	dGinv
	inverse sample spacing

int	nCoeff
	number of coefficients

std::vector< double >	coeff
	coefficients on cpu

double *	coeffGpu
	coefficients on gpu

RadialFunctionR *	rFunc
	copy of the real-space radial version (if created from one)

Detailed Description

G-space radial function stored on a uniform grid (of |G|)

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

Public Member Functions