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RadialSchemeLMG Struct Reference

#include <grid_atomic.h>

Inheritance diagram for RadialSchemeLMG:
RadialScheme

List of all members.

Public Member Functions

 RadialSchemeLMG (const GridGenMolInfo &ggmi_)
virtual void init (int myNumber, int charge, real threshold)
 Initializes the LMG radial grid generator for given atom charge and acceptable error threshold.
virtual void generate (real *r, real *w)
 Generates grid point positions and associated weights using LMG method.
virtual ~RadialSchemeLMG ()

Private Attributes

const GridGenMolInfoggmi
int * nucorb
real(* aa )[2]
int maxL
real rl
real grdc
real h
real eph

Constructor & Destructor Documentation

RadialSchemeLMG::RadialSchemeLMG ( const GridGenMolInfo ggmi_) [explicit]
RadialSchemeLMG::~RadialSchemeLMG ( ) [virtual]

References nucorb, and aa.


Member Function Documentation

void RadialSchemeLMG::generate ( real radposn,
real radwght 
) [virtual]

Generates grid point positions and associated weights using LMG method.

Implements RadialScheme.

References rl, grdc, h, RadialScheme::gridSize, and eph.

void RadialSchemeLMG::init ( int  myNumber,
int  charge,
real  thrl 
) [virtual]

Initializes the LMG radial grid generator for given atom charge and acceptable error threshold.

Implements RadialScheme.

References nucorb, maxL, aa, h, diserr(), eph, rl, outerr(), grdc, and RadialScheme::gridSize.


Member Data Documentation

real(* RadialSchemeLMG::aa)[2] [private]

Referenced by init(), and generate().

Referenced by RadialSchemeLMG().

Referenced by init(), and generate().

Referenced by init(), and generate().

int RadialSchemeLMG::maxL [private]

Referenced by RadialSchemeLMG(), and init().

Referenced by init(), and generate().


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