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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

realrad
 Array of radial grid points.
realweights
 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

Detailed Description

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


Constructor & Destructor Documentation

RadialGrid::RadialGrid ( int  charge_,
RadialScheme rs,
int  angMin,
int  angMax 
)
RadialGrid::~RadialGrid ( )
inline

Member Function Documentation

int RadialGrid::getCharge ( ) const
inline

References charge.

Referenced by AtomicGrid::charge().

unsigned RadialGrid::getPointCount ( ) const
inline
real RadialGrid::getRadius ( ) const
inline
void RadialGrid::setAngularFixed ( int  minAng,
int  maxAng 
)
protected

Member Data Documentation

int RadialGrid::charge
private

Referenced by setAngularFixed().

int* RadialGrid::nAngular

array of sizes of corresponding angular grids.

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

int RadialGrid::noOfRadPoints
real* RadialGrid::rad

Array of radial grid points.

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

real* RadialGrid::weights

Array of the weights associated with the grid points.

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


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