CambridgeThreeBodyCorrelationFunction Class Reference

This is the three body correlation function described in Phys Rev B 70, 235119 (2004). More...

#include <CambridgeThreeBodyCorrelationFunction.h>

Inheritance diagram for CambridgeThreeBodyCorrelationFunction:

List of all members.

Public Member Functions

CambridgeThreeBodyCorrelationFunction ()

~CambridgeThreeBodyCorrelationFunction ()

void initializeParameters (int electron_nucleus, int electron_electron, Array1D< double > &Parameters, int power, double max_dist)

Initializes the correlation function with a specified set of parameters.

bool setElectron (bool first, Array1D< double > &xyz, double dist)

void evaluate (Array1D< double > &xyz12, double r12)

Evaluates the correlation function and its first two derivatives at $r$ .

double getFunctionValue ()

Gets the value of the correlation function for the last evaluated $r$ .

double getFunctionValue (double r12, double r1, double r2)

Evaluate the function as fast as possible by skipping the evaluation of the derivatives.

double get_p_a (int ai)

Partial derivative of function with respect to parameter ai.

double getLapPoly (double term, double lterm, double mterm, double nterm, double l2term, double m2term, double n2term, double lnterm, double mnterm, double p1, double p2, double d1p1, double d1p2, double d2p1, double d2p2)

Array1D< double > * getElectron1Gradient ()

Gets the gradient of the correlation function for electron 1 at the last evaluated configuration.

Array1D< double > * getElectron2Gradient ()

Gets the gradient of the correlation function for electron 2 at the last evaluated configuration.

double get_p2_xa (bool e1, int xyz, int ai)

Second Partial derivative of function with respect to parameters x and ai.

double getLaplacianValue ()

Gets the value of the Laplacian of the correlation function with respect to electrons one and two at the last evaluated configuration.

double get_p3_xxa (int ai)

Third Partial derivative of function with respect to parameters x, x, and ai.

double getCutoffDist ()

Returns the cutoff for the electron-nucleus distance for this function.

void print (ostream &strm)

Override this function if there's some Jastrow specific message you want to print.

Protected Attributes

double FunctionValue

Array1D< double > grad1

Array1D< double > grad2

double LaplacianValue

Array1D< double > p_a

Array2D< double > p2_x1a

Array2D< double > p2_x2a

Array1D< double > p2_x1L

Array1D< double > p2_x2L

Array1D< double > p3_xxa

Private Attributes

double * d1pow

double * d2pow

double * r12pow

double * d1pow1

double * d2pow1

double * r12pow1

double * d1pow2

double * d2pow2

double * r12pow2

double * coeffs

int Nen

int Nee

int C

double cutoff

double L

double pre1

double pre2

double d1pre1

double d1pre2

double d2pre1

double d2pre2

double pre1_L

double pre2_L

double d1pre1_L

double d1pre2_L

double d2pre1_L

double d2pre2_L

double dU_L

double dU_Lr

double dU_Lrr

double dU_dr1

double dU_dr2

double dU_dr12

double r1

double r2

double r12

double d1

double d2

Array1D< double > r1v

Array1D< double > r2v

Array1D< double > r12v

Detailed Description

This is the three body correlation function described in Phys Rev B 70, 235119 (2004).

Definition at line 24 of file CambridgeThreeBodyCorrelationFunction.h.

Constructor & Destructor Documentation

CambridgeThreeBodyCorrelationFunction::CambridgeThreeBodyCorrelationFunction ( )

Definition at line 87 of file CambridgeThreeBodyCorrelationFunction.cpp.

References coeffs, d1pow, d1pow1, d1pow2, d2pow, d2pow1, d2pow2, r12pow, r12pow1, and r12pow2.

CambridgeThreeBodyCorrelationFunction::~CambridgeThreeBodyCorrelationFunction ( )

Definition at line 101 of file CambridgeThreeBodyCorrelationFunction.cpp.

References coeffs, d1pow, d1pow1, d1pow2, d2pow, d2pow1, d2pow2, Array2D< T >::deallocate(), Array1D< T >::deallocate(), grad1, grad2, p2_x1a, p2_x1L, p2_x2a, p2_x2L, p3_xxa, p_a, r12pow, r12pow1, r12pow2, r12v, r1v, and r2v.

Member Function Documentation

void CambridgeThreeBodyCorrelationFunction::initializeParameters	(	int	electron_nucleus,
		int	electron_electron,
		Array1D< double > &	Parameters,
		int	power,
		double	max_dist
	)			`[virtual]`

Initializes the correlation function with a specified set of parameters.

This must be called every time the parameters are changed.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 8 of file CambridgeThreeBodyCorrelationFunction.cpp.

References QMCFlags::a_diag, Array2D< T >::allocate(), Array1D< T >::allocate(), C, QMCFlags::calculate_Derivatives, coeffs, cutoff, d1pow, d1pow1, d1pow2, d2pow, d2pow1, d2pow2, Array1D< T >::dim1(), QMCInput::flags, globalInput, grad1, grad2, L, Nee, Nen, p2_x1a, p2_x1L, p2_x2a, p2_x2L, p3_xxa, p_a, print(), r12pow, r12pow1, and r12pow2.

bool CambridgeThreeBodyCorrelationFunction::setElectron	(	bool	first,
		Array1D< double > &	xyz,
		double	dist
	)			`[virtual]`

Implements QMCThreeBodyCorrelationFunction.

Definition at line 414 of file CambridgeThreeBodyCorrelationFunction.cpp.

References C, QMCFlags::calculate_Derivatives, d1, d1pow, d1pow1, d1pow2, d1pre1, d1pre1_L, d1pre2, d1pre2_L, d2, d2pow, d2pow1, d2pow2, d2pre1, d2pre1_L, d2pre2, d2pre2_L, dU_L, dU_Lrr, QMCInput::flags, globalInput, L, Nen, pre1, pre1_L, pre2, pre2_L, r1, r1v, r2, and r2v.

void CambridgeThreeBodyCorrelationFunction::evaluate	(	Array1D< double > &	xyz12,
		double	r12
	)			`[virtual]`

Evaluates the correlation function and its first two derivatives at $r$ .

Implements QMCThreeBodyCorrelationFunction.

Definition at line 151 of file CambridgeThreeBodyCorrelationFunction.cpp.

References QMCFlags::calculate_Derivatives, coeffs, d1, d1pow, d1pow1, d1pow2, d1pre1, d1pre1_L, d1pre2, d1pre2_L, d2, d2pow, d2pow1, d2pow2, d2pre1, d2pre1_L, d2pre2, d2pre2_L, dU_dr1, dU_dr12, dU_dr2, dU_L, dU_Lrr, QMCInput::flags, FunctionValue, getLapPoly(), globalInput, grad1, grad2, L, LaplacianValue, Nee, Nen, QMCFlags::optimize_L, p2_x1a, p2_x1L, p2_x2a, p2_x2L, p3_xxa, p_a, pre1, pre1_L, pre2, pre2_L, r12, r12pow, r12pow1, r12pow2, r12v, r1v, and r2v.

double CambridgeThreeBodyCorrelationFunction::getFunctionValue ( ) [virtual]

Gets the value of the correlation function for the last evaluated $r$ .

Implements QMCThreeBodyCorrelationFunction.

Definition at line 480 of file CambridgeThreeBodyCorrelationFunction.cpp.

References FunctionValue.

double CambridgeThreeBodyCorrelationFunction::getFunctionValue	(	double	r12,
		double	r1,
		double	r2
	)			`[virtual]`

Evaluate the function as fast as possible by skipping the evaluation of the derivatives.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 485 of file CambridgeThreeBodyCorrelationFunction.cpp.

References C, coeffs, d1, d1pow, d2, d2pow, L, Nee, Nen, and r12pow.

double CambridgeThreeBodyCorrelationFunction::get_p_a ( int ai ) [virtual]

Partial derivative of function with respect to parameter ai.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 527 of file CambridgeThreeBodyCorrelationFunction.cpp.

References d1, d2, dU_L, QMCInput::flags, globalInput, QMCFlags::optimize_L, and p_a.

double CambridgeThreeBodyCorrelationFunction::getLapPoly	(	double	term,
		double	lterm,
		double	mterm,
		double	nterm,
		double	l2term,
		double	m2term,
		double	n2term,
		double	lnterm,
		double	mnterm,
		double	p1,
		double	p2,
		double	d1p1,
		double	d1p2,
		double	d2p1,
		double	d2p2
	)

Definition at line 373 of file CambridgeThreeBodyCorrelationFunction.cpp.

References dU_dr1, dU_dr12, dU_dr2, L, r1, r12, r12v, r1v, r2, and r2v.

Referenced by evaluate().

Array1D< double > * CambridgeThreeBodyCorrelationFunction::getElectron1Gradient ( ) [virtual]

Gets the gradient of the correlation function for electron 1 at the last evaluated configuration.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 540 of file CambridgeThreeBodyCorrelationFunction.cpp.

References grad1.

Array1D< double > * CambridgeThreeBodyCorrelationFunction::getElectron2Gradient ( ) [virtual]

Gets the gradient of the correlation function for electron 2 at the last evaluated configuration.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 545 of file CambridgeThreeBodyCorrelationFunction.cpp.

References grad2.

double CambridgeThreeBodyCorrelationFunction::get_p2_xa	(	bool	e1,
		int	xyz,
		int	ai
	)			`[virtual]`

Second Partial derivative of function with respect to parameters x and ai.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 550 of file CambridgeThreeBodyCorrelationFunction.cpp.

References d1, d2, QMCInput::flags, globalInput, QMCFlags::optimize_L, p2_x1a, p2_x1L, p2_x2a, and p2_x2L.

double CambridgeThreeBodyCorrelationFunction::getLaplacianValue ( ) [virtual]

Gets the value of the Laplacian of the correlation function with respect to electrons one and two at the last evaluated configuration.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 568 of file CambridgeThreeBodyCorrelationFunction.cpp.

References LaplacianValue.

double CambridgeThreeBodyCorrelationFunction::get_p3_xxa ( int ai ) [virtual]

Third Partial derivative of function with respect to parameters x, x, and ai.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 573 of file CambridgeThreeBodyCorrelationFunction.cpp.

References d1, d2, dU_Lrr, QMCInput::flags, globalInput, QMCFlags::optimize_L, and p3_xxa.

double CambridgeThreeBodyCorrelationFunction::getCutoffDist ( ) [virtual]

Returns the cutoff for the electron-nucleus distance for this function.

Implements QMCThreeBodyCorrelationFunction.

Definition at line 586 of file CambridgeThreeBodyCorrelationFunction.cpp.

References cutoff.

void CambridgeThreeBodyCorrelationFunction::print ( ostream & strm ) [virtual]

Override this function if there's some Jastrow specific message you want to print.

It will be called right after the Jastrow is initialized.

Reimplemented from QMCThreeBodyCorrelationFunction.

Definition at line 591 of file CambridgeThreeBodyCorrelationFunction.cpp.

References C, coeffs, cutoff, QMCInput::flags, globalInput, L, Nee, Nen, and QMCFlags::optimize_L.

Referenced by initializeParameters().

Member Data Documentation

double CambridgeThreeBodyCorrelationFunction::FunctionValue [protected]

Definition at line 27 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and getFunctionValue().

Array1D<double> CambridgeThreeBodyCorrelationFunction::grad1 [protected]

Definition at line 28 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), getElectron1Gradient(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

Array1D<double> CambridgeThreeBodyCorrelationFunction::grad2 [protected]

Definition at line 29 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), getElectron2Gradient(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

double CambridgeThreeBodyCorrelationFunction::LaplacianValue [protected]

Definition at line 30 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and getLaplacianValue().

Array1D<double> CambridgeThreeBodyCorrelationFunction::p_a [protected]

Definition at line 32 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p_a(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

Array2D<double> CambridgeThreeBodyCorrelationFunction::p2_x1a [protected]

Definition at line 33 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p2_xa(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

Array2D<double> CambridgeThreeBodyCorrelationFunction::p2_x2a [protected]

Definition at line 34 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p2_xa(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

Array1D<double> CambridgeThreeBodyCorrelationFunction::p2_x1L [protected]

Definition at line 35 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p2_xa(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

Array1D<double> CambridgeThreeBodyCorrelationFunction::p2_x2L [protected]

Definition at line 36 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p2_xa(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

Array1D<double> CambridgeThreeBodyCorrelationFunction::p3_xxa [protected]

Definition at line 37 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p3_xxa(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::d1pow [private]

Definition at line 40 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), getFunctionValue(), initializeParameters(), setElectron(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::d2pow [private]

Definition at line 41 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), getFunctionValue(), initializeParameters(), setElectron(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::r12pow [private]

Definition at line 42 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), getFunctionValue(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::d1pow1 [private]

Definition at line 44 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), initializeParameters(), setElectron(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::d2pow1 [private]

Definition at line 45 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), initializeParameters(), setElectron(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::r12pow1 [private]

Definition at line 46 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::d1pow2 [private]

Definition at line 48 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), initializeParameters(), setElectron(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::d2pow2 [private]

Definition at line 49 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), initializeParameters(), setElectron(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::r12pow2 [private]

Definition at line 50 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), initializeParameters(), and ~CambridgeThreeBodyCorrelationFunction().

double* CambridgeThreeBodyCorrelationFunction::coeffs [private]

Definition at line 52 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by CambridgeThreeBodyCorrelationFunction(), evaluate(), getFunctionValue(), initializeParameters(), print(), and ~CambridgeThreeBodyCorrelationFunction().

int CambridgeThreeBodyCorrelationFunction::Nen [private]

Definition at line 54 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), getFunctionValue(), initializeParameters(), print(), and setElectron().

int CambridgeThreeBodyCorrelationFunction::Nee [private]

Definition at line 54 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), getFunctionValue(), initializeParameters(), and print().

int CambridgeThreeBodyCorrelationFunction::C [private]

Definition at line 54 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by getFunctionValue(), initializeParameters(), print(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::cutoff [private]

Definition at line 55 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by getCutoffDist(), initializeParameters(), and print().

double CambridgeThreeBodyCorrelationFunction::L [private]

Definition at line 56 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), getFunctionValue(), getLapPoly(), initializeParameters(), print(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::pre1 [private]

Definition at line 58 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::pre2 [private]

Definition at line 58 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d1pre1 [private]

Definition at line 59 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d1pre2 [private]

Definition at line 59 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d2pre1 [private]

Definition at line 60 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d2pre2 [private]

Definition at line 60 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::pre1_L [private]

Definition at line 62 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::pre2_L [private]

Definition at line 62 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d1pre1_L [private]

Definition at line 63 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d1pre2_L [private]

Definition at line 63 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d2pre1_L [private]

Definition at line 64 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d2pre2_L [private]

Definition at line 64 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::dU_L [private]

Definition at line 66 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p_a(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::dU_Lr [private]

Definition at line 66 of file CambridgeThreeBodyCorrelationFunction.h.

double CambridgeThreeBodyCorrelationFunction::dU_Lrr [private]

Definition at line 66 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p3_xxa(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::dU_dr1 [private]

Definition at line 67 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and getLapPoly().

double CambridgeThreeBodyCorrelationFunction::dU_dr2 [private]

Definition at line 67 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and getLapPoly().

double CambridgeThreeBodyCorrelationFunction::dU_dr12 [private]

Definition at line 67 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and getLapPoly().

double CambridgeThreeBodyCorrelationFunction::r1 [private]

Definition at line 69 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by getLapPoly(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::r2 [private]

Definition at line 69 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by getLapPoly(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::r12 [private]

Definition at line 69 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), and getLapPoly().

double CambridgeThreeBodyCorrelationFunction::d1 [private]

Definition at line 70 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p2_xa(), get_p3_xxa(), get_p_a(), getFunctionValue(), and setElectron().

double CambridgeThreeBodyCorrelationFunction::d2 [private]

Definition at line 70 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), get_p2_xa(), get_p3_xxa(), get_p_a(), getFunctionValue(), and setElectron().

Array1D<double> CambridgeThreeBodyCorrelationFunction::r1v [private]

Definition at line 72 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), getLapPoly(), setElectron(), and ~CambridgeThreeBodyCorrelationFunction().

Array1D<double> CambridgeThreeBodyCorrelationFunction::r2v [private]

Definition at line 73 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), getLapPoly(), setElectron(), and ~CambridgeThreeBodyCorrelationFunction().

Array1D<double> CambridgeThreeBodyCorrelationFunction::r12v [private]

Definition at line 74 of file CambridgeThreeBodyCorrelationFunction.h.

Referenced by evaluate(), getLapPoly(), and ~CambridgeThreeBodyCorrelationFunction().

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


Public Member Functions
	CambridgeThreeBodyCorrelationFunction ()
	~CambridgeThreeBodyCorrelationFunction ()
void	initializeParameters (int electron_nucleus, int electron_electron, Array1D< double > &Parameters, int power, double max_dist)
	Initializes the correlation function with a specified set of parameters.
bool	setElectron (bool first, Array1D< double > &xyz, double dist)
void	evaluate (Array1D< double > &xyz12, double r12)
	Evaluates the correlation function and its first two derivatives at .
double	getFunctionValue ()
	Gets the value of the correlation function for the last evaluated .
double	getFunctionValue (double r12, double r1, double r2)
	Evaluate the function as fast as possible by skipping the evaluation of the derivatives.
double	get_p_a (int ai)
	Partial derivative of function with respect to parameter ai.
double	getLapPoly (double term, double lterm, double mterm, double nterm, double l2term, double m2term, double n2term, double lnterm, double mnterm, double p1, double p2, double d1p1, double d1p2, double d2p1, double d2p2)
Array1D< double > *	getElectron1Gradient ()
	Gets the gradient of the correlation function for electron 1 at the last evaluated configuration.
Array1D< double > *	getElectron2Gradient ()
	Gets the gradient of the correlation function for electron 2 at the last evaluated configuration.
double	get_p2_xa (bool e1, int xyz, int ai)
	Second Partial derivative of function with respect to parameters x and ai.
double	getLaplacianValue ()
	Gets the value of the Laplacian of the correlation function with respect to electrons one and two at the last evaluated configuration.
double	get_p3_xxa (int ai)
	Third Partial derivative of function with respect to parameters x, x, and ai.
double	getCutoffDist ()
	Returns the cutoff for the electron-nucleus distance for this function.
void	print (ostream &strm)
	Override this function if there's some Jastrow specific message you want to print.
Protected Attributes
double	FunctionValue
Array1D< double >	grad1
Array1D< double >	grad2
double	LaplacianValue
Array1D< double >	p_a
Array2D< double >	p2_x1a
Array2D< double >	p2_x2a
Array1D< double >	p2_x1L
Array1D< double >	p2_x2L
Array1D< double >	p3_xxa
Private Attributes
double *	d1pow
double *	d2pow
double *	r12pow
double *	d1pow1
double *	d2pow1
double *	r12pow1
double *	d1pow2
double *	d2pow2
double *	r12pow2
double *	coeffs
int	Nen
int	Nee
int	C
double	cutoff
double	L
double	pre1
double	pre2
double	d1pre1
double	d1pre2
double	d2pre1
double	d2pre2
double	pre1_L
double	pre2_L
double	d1pre1_L
double	d1pre2_L
double	d2pre1_L
double	d2pre2_L
double	dU_L
double	dU_Lr
double	dU_Lrr
double	dU_dr1
double	dU_dr2
double	dU_dr12
double	r1
double	r2
double	r12
double	d1
double	d2
Array1D< double >	r1v
Array1D< double >	r2v
Array1D< double >	r12v