RadialGrid Class Reference

A grid describing a radial grid for an atom with a specific charge. More...

List of all members.

Public Member Functions
	RadialGrid (int charge_, RadialScheme *rs, int angMin, int angMax)
int	getCharge () const
real	getRadius () const
unsigned	getPointCount () const
	~RadialGrid ()
Public Attributes
real *	rad
	Array of radial grid points.
real *	weights
	Array of the weights associated with the grid points.
int *	nAngular
	array of sizes of corresponding angular grids.
int	noOfRadPoints
Protected Member Functions
void	setAngularFixed (int minAng, int maxAng)
Private Attributes
int	charge

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Detailed Description

A grid describing a radial grid for an atom with a specific charge.

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Constructor & Destructor Documentation

RadialGrid::RadialGrid	(	int	charge_,
		RadialScheme *	rs,
		int	angMin,
		int	angMax
	)

RadialGrid::~RadialGrid

(

)

[inline]

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Member Function Documentation

int RadialGrid::getCharge

(

)

const [inline]

unsigned RadialGrid::getPointCount

(

)

const [inline]

real RadialGrid::getRadius

(

)

const [inline]

void RadialGrid::setAngularFixed	(	int	minAng,
		int	maxAng
	)			[protected]

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Member Data Documentation

int RadialGrid::charge [private]

int* RadialGrid::nAngular

array of sizes of corresponding angular grids.

int RadialGrid::noOfRadPoints

real* RadialGrid::rad

Array of radial grid points.

real* RadialGrid::weights

Array of the weights associated with the grid points.

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

• source/dft/grid_stream.cc

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