RadialFunctionR Struct Reference

A function on a non-uniform real-space radial grid. More...

#include <RadialFunction.h>

Public Member Functions
	RadialFunctionR (int nSamples=0)
	allocate for a specified sample count
	RadialFunctionR (const std::vector< double > &r, double dlogr)
	initialize logarithmic grid
void	set (std::vector< double > r, std::vector< double > dr)
	update the sample locations, weights
void	initWeights ()
double	transform (int l, double G) const
void	transform (int l, double dG, int nGrid, RadialFunctionG &func) const

Public Attributes
std::vector< double >	r
	radial location
std::vector< double >	dr
	radial weight
std::vector< double >	f
	sample value

Detailed Description

A function on a non-uniform real-space radial grid.

Member Function Documentation

void RadialFunctionR::initWeights

(

)

Compute optimum dr given r (must be in ascending order) which will be exact for the integration of cubic splines with natural boundary conditions. It is recommended that r[0]=0 or r[0]<<r[1], but it'll work fine even otherwise.

double RadialFunctionR::transform	(	int	l,
		double	G
	)		const

Evaluate spherical bessel transform of order l at wavevector G: $ func(G) = dr 4 r^2 j_l(G r) f(r) $

void RadialFunctionR::transform	(	int	l,
		double	dG,
		int	nGrid,
		RadialFunctionG &	func
	)		const

Initialize a uniform G radial function from the logPrintf grid function according to $ func(G) = dr 4 r^2 j_l(G r) f(r) $

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

• electronic/RadialFunction.h