dftefe::atoms::AtomSuperpositionFunction< memorySpace > Class Template Reference

#include <AtomSuperpositionFunction.h>

Inheritance diagram for dftefe::atoms::AtomSuperpositionFunction< memorySpace >:

Collaboration diagram for dftefe::atoms::AtomSuperpositionFunction< memorySpace >:

Public Member Functions
	AtomSuperpositionFunction (std::shared_ptr< const AtomSphericalDataContainer > atomSphericalDataContainer, const std::vector< std::string > &atomSymbol, const std::vector< utils::Point > &atomCoordinates, const std::string fieldName, linearAlgebra::LinAlgOpContext< memorySpace > *linAlgOpContext=nullptr)
void	evaluate (const size_type numPoints, const AtomSuperpositionFuncType atomSupType, const double *t, double *q, const double constant=1.0, const std::vector< double > &atomWeights={}) const
void	evaluateHost (const size_type numPoints, const AtomSuperpositionFuncType atomSupType, const double *t, double *q, const double constant=1.0, const std::vector< double > &atomWeights={}) const

Protected Member Functions
void	evalHost (size_type numPoints, const AtomSuperpositionFuncType atomSupType, const double constant, const double *t, double *q, const std::vector< double > &atomWeights={}) const

Protected Attributes
const std::shared_ptr< const AtomSphericalDataContainer >	d_atomSphericalDataContainer
const std::vector< std::string >	d_atomSymbolVec
std::vector< utils::Point >	d_atomCoordinatesVec
const std::string	d_fieldName
size_type	d_numAtoms
size_type	d_dim
std::vector< std::shared_ptr< SphericalData > >	d_sphericalDataVecAll
std::vector< size_type >	d_enrichmentToAtomId
size_type	d_numEnrichmentFuncTotal
linearAlgebra::LinAlgOpContext< memorySpace > *	d_linAlgOpContext
utils::MemoryStorage< double, memorySpace >	d_originsFlat

Constructor & Destructor Documentation

AtomSuperpositionFunction()

template<utils::MemorySpace memorySpace>

dftefe::atoms::AtomSuperpositionFunction< memorySpace >::AtomSuperpositionFunction	(	std::shared_ptr< const AtomSphericalDataContainer >	atomSphericalDataContainer,
		const std::vector< std::string > &	atomSymbol,
		const std::vector< utils::Point > &	atomCoordinates,
		const std::string	fieldName,
		linearAlgebra::LinAlgOpContext< memorySpace > *	linAlgOpContext = nullptr
	)

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Member Function Documentation

evalHost()

template<utils::MemorySpace memorySpace>

void dftefe::atoms::AtomSuperpositionFunction< memorySpace >::evalHost ( size_type  numPoints, const AtomSuperpositionFuncType  atomSupType, const double  constant, const double *  t, double *  q, const std::vector< double > &  atomWeights = {}  ) const

protected

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evaluate()

template<utils::MemorySpace memorySpace>

void dftefe::atoms::AtomSuperpositionFunction< memorySpace >::evaluate ( const size_type  numPoints, const AtomSuperpositionFuncType  atomSupType, const double *  t, double *  q, const double  constant = 1.0, const std::vector< double > &  atomWeights = {}  ) const

inline

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evaluateHost()

template<utils::MemorySpace memorySpace>

void dftefe::atoms::AtomSuperpositionFunction< memorySpace >::evaluateHost ( const size_type  numPoints, const AtomSuperpositionFuncType  atomSupType, const double *  t, double *  q, const double  constant = 1.0, const std::vector< double > &  atomWeights = {}  ) const

inline

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Member Data Documentation

d_atomCoordinatesVec

template<utils::MemorySpace memorySpace>

std::vector<utils::Point> dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_atomCoordinatesVec

protected

d_atomSphericalDataContainer

template<utils::MemorySpace memorySpace>

const std::shared_ptr<const AtomSphericalDataContainer> dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_atomSphericalDataContainer

protected

d_atomSymbolVec

template<utils::MemorySpace memorySpace>

const std::vector<std::string> dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_atomSymbolVec

protected

d_dim

template<utils::MemorySpace memorySpace>

size_type dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_dim

protected

d_enrichmentToAtomId

template<utils::MemorySpace memorySpace>

std::vector<size_type> dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_enrichmentToAtomId

protected

d_fieldName

template<utils::MemorySpace memorySpace>

const std::string dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_fieldName

protected

d_linAlgOpContext

template<utils::MemorySpace memorySpace>

linearAlgebra::LinAlgOpContext<memorySpace>* dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_linAlgOpContext

protected

d_numAtoms

template<utils::MemorySpace memorySpace>

size_type dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_numAtoms

protected

d_numEnrichmentFuncTotal

template<utils::MemorySpace memorySpace>

size_type dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_numEnrichmentFuncTotal

protected

d_originsFlat

template<utils::MemorySpace memorySpace>

utils::MemoryStorage<double, memorySpace> dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_originsFlat

protected

d_sphericalDataVecAll

template<utils::MemorySpace memorySpace>

std::vector<std::shared_ptr<SphericalData> > dftefe::atoms::AtomSuperpositionFunction< memorySpace >::d_sphericalDataVecAll

protected

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

• src/atoms/AtomSuperpositionFunction.h
• src/atoms/AtomSuperpositionFunction.t.cpp