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
	)

References noOfRadPoints, RadialScheme::gridSize, rad, weights, nAngular, RadialScheme::generate(), and setAngularFixed().

RadialGrid::~RadialGrid

(

)

[inline]

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Member Function Documentation

int RadialGrid::getCharge

(

)

const [inline]

References charge.

Referenced by AtomicGrid::charge().

unsigned RadialGrid::getPointCount

(

)

const [inline]

Referenced by AtomicGrid::getPointCount(), and Stream::addAtom().

real RadialGrid::getRadius

(

)

const [inline]

Referenced by AtomicGrid::radius(), and Stream::addAtom().

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

References BraggRadii, charge, ll_npoint(), noOfRadPoints, rad, ll_order(), and nAngular.

Referenced by RadialGrid().

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Member Data Documentation

int RadialGrid::charge [private]

Referenced by setAngularFixed().

int* RadialGrid::nAngular

array of sizes of corresponding angular grids.

Referenced by setAngularFixed(), RadialGrid(), and Stream::saveAtomGridInBox().

int RadialGrid::noOfRadPoints

Referenced by setAngularFixed(), RadialGrid(), Stream::addAtom(), and Stream::saveAtomGridInBox().

real* RadialGrid::rad

Array of radial grid points.

Referenced by setAngularFixed(), RadialGrid(), and Stream::saveAtomGridInBox().

real* RadialGrid::weights

Array of the weights associated with the grid points.

Referenced by RadialGrid(), and Stream::saveAtomGridInBox().

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

• source/dft/grid_stream.cc