Jastrow Class Reference

Defines the Jastrow factor in the wave function. More...

#include <jastrow.h>

List of all members.

Public Member Functions
	Jastrow (Config *config)
double	evaluate (vec2 r[])
	Jastrow::evaluate calculates the Jastrow part of the wave function.
double	ratio (vec2 &rNew, int movedParticle)
void	setParameters (double *parameters)
void	calculateDistances (vec2 r[])
	Jastrow::calculateDistances sets the distance and argument matrix based on the given positions.
void	initialize (vec2 positions[])
	Jastrow::initialize calculates the distances and jastrow arguments for an initial position.
void	acceptMove (int movedParticle)
	Jastrow::acceptMove sets the old distance and argument matrices to their new values.
double	argument (int i, int j, mat &distances)
void	gradient (vec2 r[], vec &rGradient)
	Jastrow::gradient calculates the gradient analytically.
void	rejectMove ()
	Jastrow::rejectMove sets the new distance and argument matrices to their old values.
double	laplacePartial (vec2 r[])

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Detailed Description

Defines the Jastrow factor in the wave function.

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Member Function Documentation

void Jastrow::acceptMove

(

int

movedParticle

)

Jastrow::acceptMove sets the old distance and argument matrices to their new values.

Parameters:

movedParticle

void Jastrow::calculateDistances

(

vec2

r[]

)

Jastrow::calculateDistances sets the distance and argument matrix based on the given positions.

Parameters:

r

double Jastrow::evaluate

(

vec2

r[]

)

Jastrow::evaluate calculates the Jastrow part of the wave function.

Parameters:

r

Returns:

void Jastrow::gradient	(	vec2	r[],
		vec &	rGradient
	)

Jastrow::gradient calculates the gradient analytically.

Parameters:

r
movedParticlea
rGradient

Note:

Call ratio() or calculateDistances() before calling this function to update the distance matrix.

void Jastrow::initialize

(

vec2

positions[]

)

Jastrow::initialize calculates the distances and jastrow arguments for an initial position.

Parameters:

positions

double Jastrow::laplacePartial

(

vec2

r[]

)

Jastrow::laplacePartial calculates the Jastrow Laplace ratio, except for the gradient dot term

Warning:

Named "partial" because it does not include the square gradient term. (8.46 in Leirvåg's thesis) This must be included manually. This is done by WaveSlater in this code.

double Jastrow::ratio	(	vec2 &	r,
		int	movedParticle
	)

Jastrow::ratio calculates the Jastrow ratio

Note:

The distance and Jastrow argument matrices only have values in their upper right triangle.

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

• jastrow/jastrow.h
• jastrow/jastrow.cpp