sisi4s::FiniteSizeCorrection Class Reference

#include <FiniteSizeCorrection.hpp>

Inheritance diagram for sisi4s::FiniteSizeCorrection:

Collaboration diagram for sisi4s::FiniteSizeCorrection:

Classes
class	Momentum

Public Member Functions
virtual std::string	getName ()
	FiniteSizeCorrection (std::vector< Argument > const &argumentList)
virtual	~FiniteSizeCorrection ()
virtual void	run ()
	Calculates the finite size correction.
virtual void	dryRun ()
	Performs a Dry Run.
Public Member Functions inherited from sisi4s::Algorithm
	Algorithm (std::vector< Argument > const &argumentList)
virtual	~Algorithm ()
virtual std::string	getName ()=0
virtual void	run ()=0
virtual void	dryRun ()
	The dryRun estimates resource consumption, especially memory and processor time.
bool	isArgumentGiven (std::string const &argumentName)
std::string	getTextArgument (std::string const &argumentName)
std::string	getTextArgument (std::string const &argumentName, std::string const &defaultValue)
bool	getBooleanArgument (std::string const &name)
bool	getBooleanArgument (std::string const &name, bool const &defaultValue)
int64_t	getIntegerArgument (std::string const &argumentName)
int64_t	getIntegerArgument (std::string const &argumentName, int64_t const defaultValue)
real	getRealArgument (std::string const &argumentName)
real	getRealArgument (std::string const &argumentName, real const defaultValue)
template<typename F = real, typename T = Tensor<F>>
T *	getTensorArgument (std::string const &argumentName)
template<typename F = real, typename C = std::vector<F>>
C *	getContainerArgument (std::string const &argumentName)
template<typename F = real, typename C = std::vector<F>>
void	allocateContainerArgument (std::string const &argumentName, C *container)
std::vector< std::string >	getGivenArgumentNames () const
void	checkArgumentsOrDie (const std::vector< std::string > args) const
template<typename F = real, typename T = Tensor<F>>
void	allocatedTensorArgument (std::string const &argumentName, T *tensor)
	Specifies the location of an output tensor data.
void	setRealArgument (std::string const &argumentName, real const value)
void	setIntegerArgument (std::string const &argumentName, int const value)
real	getRealArgumentFromInteger (IntegerData *data)
real	getRealArgumentFromTensor (TensorData< real > *data)
template<typename F = real, typename T = Tensor<F>>
T *	getTensorArgumentFromReal (RealData *realData)
	Converts the given real data into a scalar tensor.
Data *	getArgumentData (std::string const &argumentName)

Static Public Attributes
static sisi4s::AlgorithmRegistrar< FiniteSizeCorrection >	registrar_

Protected Member Functions
void	readFromFile ()
void	calculateRealStructureFactor ()
void	calculateComplexStructureFactor ()
void	constructFibonacciGrid (double R, int N)
void	interpolation3D ()
bool	IsInSmallBZ (Vector< double > point, double scale, std::vector< sisi4s::Vector< double > > smallBZ)
double	SGxVG (sisi4s::Inter1D< double > Int1d, double x)
double	integrate (sisi4s::Inter1D< double > Int1d, double start, double end, int steps)
double	simpson (sisi4s::Inter1D< double > Int1d, double x, double h)
void	calculateFiniteSizeCorrection ()
void	dryCalculateStructureFactor ()
void	dryInterpolation3D ()
void	dryCalculateFiniteSizeCorrection ()
void	extrapolation (double minG, double maxG, int basisSetExtrapolation)
double	simplestWindow (double Gmin, double Gmax, double G)
double	integrateSimplestWindow (double Gmin, double Gmax)
double	leastSquareFit (std::vector< double > fitabsG, std::vector< double > fitSF)
void	basisSetCompleteness ()

Protected Attributes
int	NG
std::vector< double >	GLengths
std::vector< double >	averageSGs
std::vector< double >	meanErrorSG
std::vector< double >	structureFactors
std::vector< double >	VofG
double	GC
double	inter3D
double	sum3D
Momentum *	fibonacciGrid
Momentum *	cartesianGrid

Static Protected Attributes
static constexpr int	DEFAULT_NUM_FIBONACCI = 128

Additional Inherited Members
Public Attributes inherited from sisi4s::Algorithm
std::string	note
bool	fallible = false
std::map< std::string, std::string >	arguments

Constructor & Destructor Documentation

FiniteSizeCorrection()

FiniteSizeCorrection::FiniteSizeCorrection

(

std::vector< Argument > const &

argumentList

)

~FiniteSizeCorrection()

FiniteSizeCorrection::~FiniteSizeCorrection ( )

virtual

Member Function Documentation

basisSetCompleteness()

void sisi4s::FiniteSizeCorrection::basisSetCompleteness ( )

protected

calculateComplexStructureFactor()

void FiniteSizeCorrection::calculateComplexStructureFactor ( )

protected

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calculateFiniteSizeCorrection()

void FiniteSizeCorrection::calculateFiniteSizeCorrection ( )

protected

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calculateRealStructureFactor()

void FiniteSizeCorrection::calculateRealStructureFactor ( )

protected

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constructFibonacciGrid()

void FiniteSizeCorrection::constructFibonacciGrid ( double  R, int  N  )

protected

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dryCalculateFiniteSizeCorrection()

void FiniteSizeCorrection::dryCalculateFiniteSizeCorrection ( )

protected

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dryCalculateStructureFactor()

void FiniteSizeCorrection::dryCalculateStructureFactor ( )

protected

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dryInterpolation3D()

void FiniteSizeCorrection::dryInterpolation3D ( )

protected

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dryRun()

void FiniteSizeCorrection::dryRun ( )

virtual

Performs a Dry Run.

Reimplemented from sisi4s::Algorithm.

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extrapolation()

void sisi4s::FiniteSizeCorrection::extrapolation ( double  minG, double  maxG, int  basisSetExtrapolation  )

protected

getName()

virtual std::string sisi4s::FiniteSizeCorrection::getName ( )

inlinevirtual

Implements sisi4s::Algorithm.

integrate()

double FiniteSizeCorrection::integrate ( sisi4s::Inter1D< double >  Int1d, double  start, double  end, int  steps  )

protected

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integrateSimplestWindow()

double sisi4s::FiniteSizeCorrection::integrateSimplestWindow ( double  Gmin, double  Gmax  )

protected

interpolation3D()

void FiniteSizeCorrection::interpolation3D ( )

protected

gte::IntpTrilinear3<double> interpolatedSG( boxDimensions[0], boxDimensions[1], boxDimensions[2], boxOrigin[0], 1, boxOrigin[1], 1, boxOrigin[2], 1, regularSG );

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IsInSmallBZ()

bool FiniteSizeCorrection::IsInSmallBZ ( Vector< double >  point, double  scale, std::vector< sisi4s::Vector< double > >  smallBZ  )

protected

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leastSquareFit()

double sisi4s::FiniteSizeCorrection::leastSquareFit ( std::vector< double >  fitabsG, std::vector< double >  fitSF  )

protected

readFromFile()

void FiniteSizeCorrection::readFromFile ( )

protected

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run()

void FiniteSizeCorrection::run ( )

virtual

Calculates the finite size correction.

Implements sisi4s::Algorithm.

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SGxVG()

double FiniteSizeCorrection::SGxVG ( sisi4s::Inter1D< double >  Int1d, double  x  )

protected

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simplestWindow()

double sisi4s::FiniteSizeCorrection::simplestWindow ( double  Gmin, double  Gmax, double  G  )

protected

simpson()

double FiniteSizeCorrection::simpson ( sisi4s::Inter1D< double >  Int1d, double  x, double  h  )

protected

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Member Data Documentation

averageSGs

std::vector<double> sisi4s::FiniteSizeCorrection::averageSGs

protected

cartesianGrid

Momentum* sisi4s::FiniteSizeCorrection::cartesianGrid

protected

DEFAULT_NUM_FIBONACCI

constexpr int sisi4s::FiniteSizeCorrection::DEFAULT_NUM_FIBONACCI = 128

staticconstexprprotected

fibonacciGrid

Momentum* sisi4s::FiniteSizeCorrection::fibonacciGrid

protected

GC

double sisi4s::FiniteSizeCorrection::GC

protected

GLengths

std::vector<double> sisi4s::FiniteSizeCorrection::GLengths

protected

inter3D

double sisi4s::FiniteSizeCorrection::inter3D

protected

meanErrorSG

std::vector<double> sisi4s::FiniteSizeCorrection::meanErrorSG

protected

NG

int sisi4s::FiniteSizeCorrection::NG

protected

registrar_

sisi4s::AlgorithmRegistrar< FiniteSizeCorrection > FiniteSizeCorrection::registrar_

static

structureFactors

std::vector<double> sisi4s::FiniteSizeCorrection::structureFactors

protected

sum3D

double sisi4s::FiniteSizeCorrection::sum3D

protected

VofG

std::vector<double> sisi4s::FiniteSizeCorrection::VofG

protected

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

• FiniteSizeCorrection.hpp
• FiniteSizeCorrection.cxx