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Public Member Functions | List of all members
dftefe::atoms::SphericalData Class Referenceabstract

#include <SphericalData.h>

Inheritance diagram for dftefe::atoms::SphericalData:
Inheritance graph
[legend]

Public Member Functions

 ~SphericalData ()=default
 
virtual std::vector< double > getValue (const std::vector< utils::Point > &point, const utils::Point &origin)=0
 
virtual std::vector< double > getGradientValue (const std::vector< utils::Point > &point, const utils::Point &origin)=0
 
virtual std::vector< double > getHessianValue (const std::vector< utils::Point > &point, const utils::Point &origin)=0
 
virtual double getValue (const utils::Point &point, const utils::Point &origin)=0
 
virtual std::vector< double > getGradientValue (const utils::Point &point, const utils::Point &origin)=0
 
virtual std::vector< double > getHessianValue (const utils::Point &point, const utils::Point &origin)=0
 
virtual std::vector< double > getRadialValue (const std::vector< double > &r)=0
 
virtual std::vector< double > getAngularValue (const std::vector< double > &r, const std::vector< double > &theta, const std::vector< double > &phi)=0
 
virtual std::vector< double > getRadialDerivative (const std::vector< double > &r)=0
 
virtual std::vector< std::vector< double > > getAngularDerivative (const std::vector< double > &r, const std::vector< double > &theta, const std::vector< double > &phi)=0
 
virtual std::vector< int > getQNumbers () const =0
 
virtual double getCutoff () const =0
 
virtual double getSmoothness () const =0
 

Constructor & Destructor Documentation

◆ ~SphericalData()

dftefe::atoms::SphericalData::~SphericalData ( )
default

Member Function Documentation

◆ getAngularDerivative()

virtual std::vector< std::vector< double > > dftefe::atoms::SphericalData::getAngularDerivative ( const std::vector< double > &  r,
const std::vector< double > &  theta,
const std::vector< double > &  phi 
)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getAngularValue()

virtual std::vector< double > dftefe::atoms::SphericalData::getAngularValue ( const std::vector< double > &  r,
const std::vector< double > &  theta,
const std::vector< double > &  phi 
)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getCutoff()

virtual double dftefe::atoms::SphericalData::getCutoff ( ) const
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getGradientValue() [1/2]

virtual std::vector< double > dftefe::atoms::SphericalData::getGradientValue ( const std::vector< utils::Point > &  point,
const utils::Point &  origin 
)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getGradientValue() [2/2]

virtual std::vector< double > dftefe::atoms::SphericalData::getGradientValue ( const utils::Point &  point,
const utils::Point &  origin 
)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getHessianValue() [1/2]

virtual std::vector< double > dftefe::atoms::SphericalData::getHessianValue ( const std::vector< utils::Point > &  point,
const utils::Point &  origin 
)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getHessianValue() [2/2]

virtual std::vector< double > dftefe::atoms::SphericalData::getHessianValue ( const utils::Point &  point,
const utils::Point &  origin 
)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getQNumbers()

virtual std::vector< int > dftefe::atoms::SphericalData::getQNumbers ( ) const
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getRadialDerivative()

virtual std::vector< double > dftefe::atoms::SphericalData::getRadialDerivative ( const std::vector< double > &  r)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getRadialValue()

virtual std::vector< double > dftefe::atoms::SphericalData::getRadialValue ( const std::vector< double > &  r)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getSmoothness()

virtual double dftefe::atoms::SphericalData::getSmoothness ( ) const
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getValue() [1/2]

virtual std::vector< double > dftefe::atoms::SphericalData::getValue ( const std::vector< utils::Point > &  point,
const utils::Point &  origin 
)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

◆ getValue() [2/2]

virtual double dftefe::atoms::SphericalData::getValue ( const utils::Point &  point,
const utils::Point &  origin 
)
pure virtual

Implemented in dftefe::atoms::SphericalDataAnalytical, dftefe::atoms::SphericalDataMixed, and dftefe::atoms::SphericalDataNumerical.

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