WaveFunction Class Reference

Superclass that defines a wave function. More...

#include <wavefunction.h>

Inheritance diagram for WaveFunction:

List of all members.

Public Member Functions
	WaveFunction (Config *config)
virtual double	evaluate (vec2 r[])=0
virtual void	gradient (vec2 r[], vec &rGradient)
virtual double	laplace (vec2 r[])
virtual WaveFunction *	clone ()=0
virtual void	loadConfiguration (INIParser *settings)
virtual double	laplaceNumerical (vec2 r[])
virtual void	gradientNumerical (vec2 r[], vec &rGradient)
virtual void	setParameters (double *parameters)
virtual double	ratio (vec2 &particlePosition, int movedParticle)
virtual void	acceptMove (int movedParticle)
virtual void	rejectMove ()
virtual void	initialize (vec2 r[])
virtual void	prepareGradient (vec2 &particlePosition, int movedParticle)
void	setUseAnalyticalLaplace (bool val)
void	setUseAnalyticalGradient (bool val)
virtual void	outputProperties ()
Static Public Member Functions
static WaveFunction *	fromName (string waveClass, Config *config)
Protected Attributes
Config *	config
int	nParticles
int	nDimensions
double *	parameters
vec2 *	rPlus
vec2 *	rMinus
vec2 *	rNew
vec2 *	rOld
double	previousEvaluation
double	currentEvaluation
bool	useAnalyticalLaplace
bool	useAnalyticalGradient

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Detailed Description

Superclass that defines a wave function.

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Member Function Documentation

WaveFunction * WaveFunction::fromName	(	string	waveClass,
		Config *	config
	)		[static]

Creates and returns a new wave function based on the class specified by the parameter string.

double WaveFunction::ratio	(	vec2 &	particlePosition,
		int	movedParticle
	)		[virtual]

This function does a ratio by evaluating the system in its current position and dividing by the previous evaluation. This is strongly optimized in the subclasses and this function is only a convenience to make the code run gracefully also without optimization.

Parameters:

r	An array of vectors denoting all the particle positions.

Reimplemented in WaveSlater.

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

• wavefunction/wavefunction.h
• wavefunction/wavefunction.cpp