dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim > Class Template Reference

A derived class of linearAlgebra::OperatorContext to encapsulate the action of a discrete operator on vectors, matrices, etc. More...

#include <ElectrostaticFE.h>

Inheritance diagram for dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >:

Collaboration diagram for dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >:

Public Types
using	ValueType = linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeBasisCoeff >
using	Storage = utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeWaveFnBasisData >, ValueTypeBasisCoeff >, memorySpace >
using	RealType = linearAlgebra::blasLapack::real_type< ValueType >

Public Member Functions
virtual	~ElectrostaticFE ()=default
virtual void	getLocal (Storage &cellWiseStorage) const =0
virtual RealType	getEnergy () const =0
virtual const quadrature::QuadratureValuesContainer< ValueType, memorySpace > &	getFunctionalDerivative () const =0
virtual void	applyNonLocal (linearAlgebra::MultiVector< ValueType, memorySpace > &X, linearAlgebra::MultiVector< ValueType, memorySpace > &Y, bool updateGhostX, bool updateGhostY) const =0
virtual bool	hasLocalComponent () const =0
virtual bool	hasNonLocalComponent () const =0
Public Member Functions inherited from dftefe::ksdft::Hamiltonian< linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeWaveFnBasisData >, ValueTypeBasisCoeff >, memorySpace >
virtual	~Hamiltonian ()=default
virtual void	getLocal (utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeWaveFnBasisData >, ValueTypeBasisCoeff >, memorySpace > &cellWiseStorage) const=0
virtual void	applyNonLocal (linearAlgebra::MultiVector< linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeWaveFnBasisData >, ValueTypeBasisCoeff >, memorySpace > &X, linearAlgebra::MultiVector< linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeWaveFnBasisData >, ValueTypeBasisCoeff >, memorySpace > &Y, bool updateGhostX, bool updateGhostY) const=0
virtual bool	hasLocalComponent () const=0
virtual bool	hasNonLocalComponent () const=0
Public Member Functions inherited from dftefe::ksdft::Energy< linearAlgebra::blasLapack::real_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeBasisCoeff > > >
virtual	~Energy ()=default
virtual linearAlgebra::blasLapack::real_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeBasisCoeff > >	getEnergy () const=0

Detailed Description

template<typename ValueTypeBasisData, typename ValueTypeBasisCoeff, typename ValueTypeWaveFnBasisData, utils::MemorySpace memorySpace, size_type dim>
class dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >

A derived class of linearAlgebra::OperatorContext to encapsulate the action of a discrete operator on vectors, matrices, etc.

Template Parameters

ValueTypeOperator	The datatype (float, double, complex<double>, etc.) for the underlying operator on which the operator will act
memorySpace	The meory sapce (HOST, DEVICE, HOST_PINNED, etc.) in which the data of the operator and its operands reside

Member Typedef Documentation

RealType

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

using dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::RealType = linearAlgebra::blasLapack::real_type<ValueType>

Storage

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

using dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::Storage = utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type<ValueTypeBasisData, ValueTypeWaveFnBasisData>, ValueTypeBasisCoeff>, memorySpace>

ValueType

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

using dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::ValueType = linearAlgebra::blasLapack::scalar_type<ValueTypeBasisData, ValueTypeBasisCoeff>

Constructor & Destructor Documentation

~ElectrostaticFE()

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

virtual dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::~ElectrostaticFE ( )

virtualdefault

Member Function Documentation

applyNonLocal()

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

virtual void dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::applyNonLocal ( linearAlgebra::MultiVector< ValueType, memorySpace > &  X, linearAlgebra::MultiVector< ValueType, memorySpace > &  Y, bool  updateGhostX, bool  updateGhostY  ) const

pure virtual

getEnergy()

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

virtual RealType dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::getEnergy ( ) const

pure virtual

Implements dftefe::ksdft::Energy< linearAlgebra::blasLapack::real_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeBasisCoeff > > >.

Implemented in dftefe::ksdft::ElectrostaticLocalFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >, and dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim >.

getFunctionalDerivative()

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

virtual const quadrature::QuadratureValuesContainer< ValueType, memorySpace > & dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::getFunctionalDerivative ( ) const

pure virtual

Implemented in dftefe::ksdft::ElectrostaticLocalFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >, and dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim >.

getLocal()

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

virtual void dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::getLocal ( Storage &  cellWiseStorage ) const

pure virtual

Implemented in dftefe::ksdft::ElectrostaticLocalFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >.

hasLocalComponent()

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

virtual bool dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::hasLocalComponent ( ) const

pure virtual

Implements dftefe::ksdft::Hamiltonian< linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeWaveFnBasisData >, ValueTypeBasisCoeff >, memorySpace >.

Implemented in dftefe::ksdft::ElectrostaticLocalFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >, and dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim >.

hasNonLocalComponent()

template<typename ValueTypeBasisData , typename ValueTypeBasisCoeff , typename ValueTypeWaveFnBasisData , utils::MemorySpace memorySpace, size_type dim>

virtual bool dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >::hasNonLocalComponent ( ) const

pure virtual

Implements dftefe::ksdft::Hamiltonian< linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeWaveFnBasisData >, ValueTypeBasisCoeff >, memorySpace >.

Implemented in dftefe::ksdft::ElectrostaticLocalFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasisData, memorySpace, dim >, and dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim >.

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

• src/ksdft/ElectrostaticFE.h