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 aa, and nucorb.


Member Function Documentation

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

Generates grid point positions and associated weights using LMG method.

Implements RadialScheme.

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

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


Member Data Documentation

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

Referenced by generate(), and init().

Referenced by RadialSchemeLMG().

Referenced by generate(), and init().

Referenced by generate(), and init().

int RadialSchemeLMG::maxL [private]

Referenced by init(), and RadialSchemeLMG().

int* RadialSchemeLMG::nucorb [private]

Referenced by generate(), and init().


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

Generated on 21 Nov 2012 for ergo by  doxygen 1.6.1