RadialSchemeGC2 Struct Reference

#include <grid_atomic.h>

Inheritance diagram for RadialSchemeGC2:

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

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Constructor & Destructor Documentation

RadialSchemeGC2::RadialSchemeGC2

(

)

[inline]

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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.

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.

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Member Data Documentation

void* RadialSchemeGC2::quadData

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

• source/dft/grid_atomic.h
• source/dft/grid_atomic.cc

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