PLMD::symfunc::SphericalHarmonic Class Reference

Inheritance diagram for PLMD::symfunc::SphericalHarmonic:

Public Member Functions
bool	allComponentsRequired (const std::vector< Value * > &args, const std::vector< ActionWithVector * > &actions)
void	calc (const ActionWithArguments *action, const std::vector< double > &args, std::vector< double > &vals, Matrix< double > &derivatives) const override
virtual bool	derivativesImplemented ()
	Override this function if you have not implemented the derivatives.
virtual bool	doWithTasks () const
virtual unsigned	getArgStart () const
virtual std::vector< Value * >	getArgumentsToCheck (const std::vector< Value * > &args)
std::vector< std::string >	getComponentsPerLabel () const override
virtual bool	getDerivativeZeroIfValueIsZero () const
virtual std::string	getGraphInfo (const std::string &lab) const
void	read (ActionWithArguments *action) override
void	registerKeywords (Keywords &keys) override
void	setPeriodicityForOutputs (ActionWithValue *action) override
virtual void	setPrefactor (ActionWithArguments *action, const double pref)
virtual void	setup (ActionWithValue *action)
virtual bool	zeroRank () const

Protected Member Functions
template<class T>
void	parse (Action *action, const std::string &key, T &t)
	Parse a keyword from the input as a value.
void	parseFlag (Action *action, const std::string &key, bool &t)
	Parse a keyword from the input as a flag.
template<class T>
void	parseVector (Action *action, const std::string &key, std::vector< T > &t)
	Parse a keyword from the input as a vector.

Protected Attributes
bool	noderiv = false
	Are we using derivatives.

Private Member Functions
void	addVectorDerivatives (const unsigned &ival, const Vector &der, Matrix< double > &derivatives) const
double	deriv_poly (const unsigned &m, const double &val, double &df) const
unsigned	factorial (const unsigned &n) const

Private Attributes
std::vector< double >	coeff_poly
std::vector< double >	normaliz
int	tmom

Member Function Documentation

addVectorDerivatives()

void PLMD::symfunc::SphericalHarmonic::addVectorDerivatives ( const unsigned & ival, const Vector & der, Matrix< double > & derivatives ) const

private

allComponentsRequired()

bool PLMD::function::FunctionTemplateBase::allComponentsRequired ( const std::vector< Value * > & args, const std::vector< ActionWithVector * > & actions )

inlineinherited

calc()

void PLMD::symfunc::SphericalHarmonic::calc ( const ActionWithArguments * action, const std::vector< double > & args, std::vector< double > & vals, Matrix< double > & derivatives ) const

overridevirtual

Implements PLMD::function::FunctionTemplateBase.

deriv_poly()

double PLMD::symfunc::SphericalHarmonic::deriv_poly ( const unsigned & m, const double & val, double & df ) const

private

derivativesImplemented()

virtual bool PLMD::function::FunctionTemplateBase::derivativesImplemented ( )

inlinevirtualinherited

Override this function if you have not implemented the derivatives.

Reimplemented in PLMD::function::Bessel.

doWithTasks()

virtual bool PLMD::function::FunctionTemplateBase::doWithTasks ( ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Highest, PLMD::function::Moments, and PLMD::function::Sort.

factorial()

unsigned PLMD::symfunc::SphericalHarmonic::factorial ( const unsigned & n ) const

private

getArgStart()

virtual unsigned PLMD::function::FunctionTemplateBase::getArgStart ( ) const

inlinevirtualinherited

Reimplemented in PLMD::gridtools::EvaluateGridFunction.

getArgumentsToCheck()

std::vector< Value * > PLMD::function::FunctionTemplateBase::getArgumentsToCheck ( const std::vector< Value * > & args )

inlinevirtualinherited

Reimplemented in PLMD::function::Custom.

getComponentsPerLabel()

std::vector< std::string > PLMD::symfunc::SphericalHarmonic::getComponentsPerLabel ( ) const

overridevirtual

Reimplemented from PLMD::function::FunctionTemplateBase.

getDerivativeZeroIfValueIsZero()

virtual bool PLMD::function::FunctionTemplateBase::getDerivativeZeroIfValueIsZero ( ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Between, PLMD::function::Custom, PLMD::function::LessThan, and PLMD::function::MoreThan.

getGraphInfo()

std::string PLMD::function::FunctionTemplateBase::getGraphInfo ( const std::string & lab ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Custom.

parse()

template<class T>

void PLMD::function::FunctionTemplateBase::parse ( Action * action, const std::string & key, T & t )

protectedinherited

Parse a keyword from the input as a value.

parseFlag()

void PLMD::function::FunctionTemplateBase::parseFlag ( Action * action, const std::string & key, bool & t )

inlineprotectedinherited

Parse a keyword from the input as a flag.

parseVector()

template<class T>

void PLMD::function::FunctionTemplateBase::parseVector ( Action * action, const std::string & key, std::vector< T > & t )

protectedinherited

Parse a keyword from the input as a vector.

read()

void PLMD::symfunc::SphericalHarmonic::read ( ActionWithArguments * action )

overridevirtual

Implements PLMD::function::FunctionTemplateBase.

registerKeywords()

void PLMD::symfunc::SphericalHarmonic::registerKeywords ( Keywords & keys )

overridevirtual

Implements PLMD::function::FunctionTemplateBase.

setPeriodicityForOutputs()

void PLMD::symfunc::SphericalHarmonic::setPeriodicityForOutputs ( ActionWithValue * action )

overridevirtual

Reimplemented from PLMD::function::FunctionTemplateBase.

setPrefactor()

virtual void PLMD::function::FunctionTemplateBase::setPrefactor ( ActionWithArguments * action, const double pref )

inlinevirtualinherited

Reimplemented in PLMD::function::Sum.

setup()

void PLMD::function::FunctionTemplateBase::setup ( ActionWithValue * action )

inlinevirtualinherited

Reimplemented in PLMD::gridtools::EvaluateGridFunction.

zeroRank()

virtual bool PLMD::function::FunctionTemplateBase::zeroRank ( ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Highest, PLMD::function::Moments, PLMD::function::Sort, and PLMD::function::Sum.

Member Data Documentation

coeff_poly

std::vector<double> PLMD::symfunc::SphericalHarmonic::coeff_poly

private

noderiv

bool PLMD::function::FunctionTemplateBase::noderiv = false

protectedinherited

Are we using derivatives.

normaliz

std::vector<double> PLMD::symfunc::SphericalHarmonic::normaliz

private

tmom

int PLMD::symfunc::SphericalHarmonic::tmom

private

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

• symfunc/SphericalHarmonic.cpp