RadialSchemeGC2 Struct Reference

#include <grid_atomic.h>

Inheritance diagram for RadialSchemeGC2:
RadialScheme

List of all members.

Public Member Functions

 RadialSchemeGC2 ()
virtual void init (int myNumber, int charge, real threshold)
 Initializes RadialSchemeGC2 grid generator.
virtual void generate (real *r, real *w)
 Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind.

Public Attributes

void * quadData

Constructor & Destructor Documentation

RadialSchemeGC2::RadialSchemeGC2 (  )  [inline]

Member Function Documentation

void RadialSchemeGC2::generate ( real rad,
real wght 
) [virtual]

Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind.

The rad and wght arrays are filled in.

Implements RadialScheme.

References RadialScheme::gridSize, template_blas_cos(), template_blas_log(), and template_blas_sin().

void RadialSchemeGC2::init ( int  myNumber,
int  Z,
real  thrl 
) [virtual]

Initializes RadialSchemeGC2 grid generator.

Determinates number of radial points to be used for Gauss-Chebyshev quadrature of second kind needed to integrate atom of specified Z number to specified threshold thrl.

Implements RadialScheme.

References RadialScheme::gridSize, template_blas_log10(), and template_blas_sqrt().


Member Data Documentation


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

Generated on 10 Jul 2018 for ergo by  doxygen 1.6.1