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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 Member Functions inherited from RadialScheme
 RadialScheme (const char *n)
int size () const
virtual ~RadialScheme ()

Public Attributes

void * quadData
- Public Attributes inherited from RadialScheme
const char * name
int gridSize

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.

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.


Member Data Documentation

void* RadialSchemeGC2::quadData

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