Yukawa2CorrelationFunction Class Reference

#include <Yukawa2CorrelationFunction.h>

Inheritance diagram for Yukawa2CorrelationFunction:

List of all members.

Public Member Functions

void initializeParameters (Array1D< int > &BeginningIndexOfParameterType, Array1D< double > &Parameters, Array1D< int > &BeginningIndexOfConstantType, Array1D< double > &Constants)

Initializes the correlation function with a specified set of parameters.

void evaluate (double r)

Evaluates the correlation function and it's first two derivatives at $r$ .

double get_p_a (int ai)

Partial derivative of function with respect to parameter ai.

double get_p2_xa (int ai)

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

double get_p3_xxa (int ai)

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

bool isSingular ()

Returns $true$ if the correlation function has a singularity in the domain $r\geq0$ , and false otherwise.

void print (ostream &strm)

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

Array1D< Complex > getPoles ()

Returns all of the poles of the correlation function.

double getFunctionValue ()

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

double getFunctionValue (double r)

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

double getFirstDerivativeValue ()

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

double getSecondDerivativeValue ()

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

Array1D< double > getNumeratorCoeffs ()

Returns the coefficients for the numerator of the Jastrow's function.

Array1D< double > getDenominatorCoeffs ()

Returns the coefficients for the denominator of the Jastrow's function.

Protected Attributes

double FunctionValue

double dFunctionValue

double d2FunctionValue

Private Attributes

double g

double A

double A2

double F

double A2F

double s2g

double ir

double t1

double t2

double r

Detailed Description

Definition at line 10 of file Yukawa2CorrelationFunction.h.

Member Function Documentation

void Yukawa2CorrelationFunction::initializeParameters	(	Array1D< int > &	BeginningIndexOfParameterType,
		Array1D< double > &	Parameters,
		Array1D< int > &	BeginningIndexOfConstantType,
		Array1D< double > &	Constants
	)			`[virtual]`

Initializes the correlation function with a specified set of parameters.

This must be called every time the parameters are changed.

Reimplemented from FixedCuspPadeCorrelationFunction.

Definition at line 4 of file Yukawa2CorrelationFunction.cpp.

References A, A2, A2F, Array1D< T >::dim1(), F, g, and s2g.

void Yukawa2CorrelationFunction::evaluate ( double r ) [virtual]

Evaluates the correlation function and it's first two derivatives at $r$ .

Reimplemented from FixedCuspPadeCorrelationFunction.

Definition at line 43 of file Yukawa2CorrelationFunction.cpp.

References A2, A2F, FixedCuspPadeCorrelationFunction::d2FunctionValue, FixedCuspPadeCorrelationFunction::dFunctionValue, F, FixedCuspPadeCorrelationFunction::FunctionValue, ir, isSingular(), r, t1, and t2.

double Yukawa2CorrelationFunction::get_p_a ( int ai ) [virtual]

Partial derivative of function with respect to parameter ai.

Reimplemented from FixedCuspPadeCorrelationFunction.

Definition at line 72 of file Yukawa2CorrelationFunction.cpp.

References A, FixedCuspPadeCorrelationFunction::FunctionValue, s2g, and t1.

double Yukawa2CorrelationFunction::get_p2_xa ( int ai ) [virtual]

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

Reimplemented from FixedCuspPadeCorrelationFunction.

Definition at line 93 of file Yukawa2CorrelationFunction.cpp.

References A, FixedCuspPadeCorrelationFunction::dFunctionValue, F, s2g, and t1.

double Yukawa2CorrelationFunction::get_p3_xxa ( int ai ) [virtual]

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

Reimplemented from FixedCuspPadeCorrelationFunction.

Definition at line 114 of file Yukawa2CorrelationFunction.cpp.

References A, FixedCuspPadeCorrelationFunction::d2FunctionValue, F, s2g, and t1.

bool Yukawa2CorrelationFunction::isSingular ( ) [virtual]

Returns $true$ if the correlation function has a singularity in the domain $r\geq0$ , and false otherwise.

Reimplemented from FixedCuspPadeCorrelationFunction.

Definition at line 144 of file Yukawa2CorrelationFunction.cpp.

References A, and g.

Referenced by evaluate().

void Yukawa2CorrelationFunction::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 FixedCuspPadeCorrelationFunction.

Definition at line 134 of file Yukawa2CorrelationFunction.cpp.

References A, A2, F, and g.

Array1D< Complex > FixedCuspPadeCorrelationFunction::getPoles ( ) [virtual, inherited]

Returns all of the poles of the correlation function.

Implements QMCCorrelationFunction.

Definition at line 71 of file FixedCuspPadeCorrelationFunction.cpp.

References FixedCuspPadeCorrelationFunction::Denominator, and Polynomial::getRoots().

double FixedCuspPadeCorrelationFunction::getFunctionValue ( ) [virtual, inherited]

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

Implements QMCCorrelationFunction.

Definition at line 101 of file FixedCuspPadeCorrelationFunction.cpp.

References FixedCuspPadeCorrelationFunction::FunctionValue.

double FixedCuspPadeCorrelationFunction::getFunctionValue ( double r ) [virtual, inherited]

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

Implements QMCCorrelationFunction.

Definition at line 106 of file FixedCuspPadeCorrelationFunction.cpp.

References FixedCuspPadeCorrelationFunction::Denominator, Polynomial::getFunctionValue(), and FixedCuspPadeCorrelationFunction::Numerator.

double FixedCuspPadeCorrelationFunction::getFirstDerivativeValue ( ) [virtual, inherited]

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

Implements QMCCorrelationFunction.

Definition at line 131 of file FixedCuspPadeCorrelationFunction.cpp.

References FixedCuspPadeCorrelationFunction::dFunctionValue.

double FixedCuspPadeCorrelationFunction::getSecondDerivativeValue ( ) [virtual, inherited]

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

Implements QMCCorrelationFunction.

Definition at line 165 of file FixedCuspPadeCorrelationFunction.cpp.

References FixedCuspPadeCorrelationFunction::d2FunctionValue.

Array1D< double > FixedCuspPadeCorrelationFunction::getNumeratorCoeffs ( ) [virtual, inherited]

Returns the coefficients for the numerator of the Jastrow's function.

Implements QMCCorrelationFunction.

Definition at line 214 of file FixedCuspPadeCorrelationFunction.cpp.

References Polynomial::getCoefficients(), and FixedCuspPadeCorrelationFunction::Numerator.

Array1D< double > FixedCuspPadeCorrelationFunction::getDenominatorCoeffs ( ) [virtual, inherited]

Returns the coefficients for the denominator of the Jastrow's function.

Implements QMCCorrelationFunction.

Definition at line 219 of file FixedCuspPadeCorrelationFunction.cpp.

References FixedCuspPadeCorrelationFunction::Denominator, and Polynomial::getCoefficients().

Member Data Documentation

double Yukawa2CorrelationFunction::g [private]

Definition at line 13 of file Yukawa2CorrelationFunction.h.

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

double Yukawa2CorrelationFunction::A [private]

Definition at line 13 of file Yukawa2CorrelationFunction.h.

Referenced by get_p2_xa(), get_p3_xxa(), get_p_a(), initializeParameters(), isSingular(), and print().

double Yukawa2CorrelationFunction::A2 [private]

Definition at line 13 of file Yukawa2CorrelationFunction.h.

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

double Yukawa2CorrelationFunction::F [private]

Definition at line 13 of file Yukawa2CorrelationFunction.h.

Referenced by evaluate(), get_p2_xa(), get_p3_xxa(), initializeParameters(), and print().

double Yukawa2CorrelationFunction::A2F [private]

Definition at line 13 of file Yukawa2CorrelationFunction.h.

Referenced by evaluate(), and initializeParameters().

double Yukawa2CorrelationFunction::s2g [private]

Definition at line 13 of file Yukawa2CorrelationFunction.h.

Referenced by get_p2_xa(), get_p3_xxa(), get_p_a(), and initializeParameters().

double Yukawa2CorrelationFunction::ir [private]

Definition at line 15 of file Yukawa2CorrelationFunction.h.

Referenced by evaluate().

double Yukawa2CorrelationFunction::t1 [private]

Definition at line 15 of file Yukawa2CorrelationFunction.h.

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

double Yukawa2CorrelationFunction::t2 [private]

Definition at line 15 of file Yukawa2CorrelationFunction.h.

Referenced by evaluate().

double Yukawa2CorrelationFunction::r [private]

Definition at line 17 of file Yukawa2CorrelationFunction.h.

Referenced by evaluate().

double FixedCuspPadeCorrelationFunction::FunctionValue [protected, inherited]

Definition at line 29 of file FixedCuspPadeCorrelationFunction.h.

Referenced by evaluate(), Williamson2CorrelationFunction::evaluate(), Umrigar2CorrelationFunction::evaluate(), FixedCuspPadeCorrelationFunction::evaluate(), Anderson2CorrelationFunction::evaluate(), get_p_a(), FixedCuspPadeCorrelationFunction::get_p_a(), and FixedCuspPadeCorrelationFunction::getFunctionValue().

double FixedCuspPadeCorrelationFunction::dFunctionValue [protected, inherited]

Definition at line 30 of file FixedCuspPadeCorrelationFunction.h.

Referenced by evaluate(), Williamson2CorrelationFunction::evaluate(), Umrigar2CorrelationFunction::evaluate(), FixedCuspPadeCorrelationFunction::evaluate(), Anderson2CorrelationFunction::evaluate(), get_p2_xa(), Williamson2CorrelationFunction::get_p2_xa(), Anderson2CorrelationFunction::get_p2_xa(), Williamson2CorrelationFunction::get_p_a(), Anderson2CorrelationFunction::get_p_a(), and FixedCuspPadeCorrelationFunction::getFirstDerivativeValue().

double FixedCuspPadeCorrelationFunction::d2FunctionValue [protected, inherited]

Definition at line 31 of file FixedCuspPadeCorrelationFunction.h.

Referenced by evaluate(), Williamson2CorrelationFunction::evaluate(), Umrigar2CorrelationFunction::evaluate(), FixedCuspPadeCorrelationFunction::evaluate(), Anderson2CorrelationFunction::evaluate(), Williamson2CorrelationFunction::get_p2_xa(), Anderson2CorrelationFunction::get_p2_xa(), get_p3_xxa(), Williamson2CorrelationFunction::get_p3_xxa(), Anderson2CorrelationFunction::get_p3_xxa(), and FixedCuspPadeCorrelationFunction::getSecondDerivativeValue().

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


Public Member Functions
void	initializeParameters (Array1D< int > &BeginningIndexOfParameterType, Array1D< double > &Parameters, Array1D< int > &BeginningIndexOfConstantType, Array1D< double > &Constants)
	Initializes the correlation function with a specified set of parameters.
void	evaluate (double r)
	Evaluates the correlation function and it's first two derivatives at .
double	get_p_a (int ai)
	Partial derivative of function with respect to parameter ai.
double	get_p2_xa (int ai)
	Second Partial derivative of function with respect to parameters x and ai.
double	get_p3_xxa (int ai)
	Third Partial derivative of function with respect to parameters x, x, and ai.
bool	isSingular ()
	Returns if the correlation function has a singularity in the domain $r\geq0$ , and false otherwise.
void	print (ostream &strm)
	Override this function if there's some Jastrow specific message you want to print.
Array1D< Complex >	getPoles ()
	Returns all of the poles of the correlation function.
double	getFunctionValue ()
	Gets the value of the correlation function for the last evaluated .
double	getFunctionValue (double r)
	Evaluate the function as fast as possible by skipping the evaluation of the derivatives.
double	getFirstDerivativeValue ()
	Gets the value of the first derivative of the correlation function for the last evaluated .
double	getSecondDerivativeValue ()
	Gets the value of the second derivative of the correlation function for the last evaluated .
Array1D< double >	getNumeratorCoeffs ()
	Returns the coefficients for the numerator of the Jastrow's function.
Array1D< double >	getDenominatorCoeffs ()
	Returns the coefficients for the denominator of the Jastrow's function.
Protected Attributes
double	FunctionValue
double	dFunctionValue
double	d2FunctionValue
Private Attributes
double	g
double	A
double	A2
double	F
double	A2F
double	s2g
double	ir
double	t1
double	t2
double	r