JDFTx  1.7.0
RadialFunctionG Struct Reference

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
 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: