dftfe::pseudopotentialBaseClass< ValueType, memorySpace > Class Template Reference

#include <pseudopotentialBaseClass.h>

Inheritance diagram for dftfe::pseudopotentialBaseClass< ValueType, memorySpace >:

Public Member Functions
virtual	~pseudopotentialBaseClass ()
virtual const dftfe::utils::MemoryStorage< ValueType, memorySpace > &	getCouplingMatrix (CouplingType couplingtype=CouplingType::HamiltonianEntries)=0
virtual const dftfe::utils::MemoryStorage< typename dftfe::dataTypes::singlePrecType< ValueType >::type, memorySpace > &	getCouplingMatrixSinglePrec (CouplingType couplingtype=CouplingType::HamiltonianEntries)=0
virtual const std::shared_ptr< AtomicCenteredNonLocalOperator< ValueType, memorySpace > >	getNonLocalOperator ()=0
virtual const std::shared_ptr< AtomicCenteredNonLocalOperator< typename dftfe::dataTypes::singlePrecType< ValueType >::type, memorySpace > >	getNonLocalOperatorSinglePrec ()

Constructor & Destructor Documentation

~pseudopotentialBaseClass()

template<typename ValueType, dftfe::utils::MemorySpace memorySpace>

virtual dftfe::pseudopotentialBaseClass< ValueType, memorySpace >::~pseudopotentialBaseClass ( )

inlinevirtual

Member Function Documentation

getCouplingMatrix()

template<typename ValueType, dftfe::utils::MemorySpace memorySpace>

virtual const dftfe::utils::MemoryStorage< ValueType, memorySpace > & dftfe::pseudopotentialBaseClass< ValueType, memorySpace >::getCouplingMatrix ( CouplingType couplingtype = CouplingType::HamiltonianEntries )

pure virtual

Implemented in dftfe::oncvClass< ValueType, memorySpace >.

getCouplingMatrixSinglePrec()

template<typename ValueType, dftfe::utils::MemorySpace memorySpace>

virtual const dftfe::utils::MemoryStorage< typename dftfe::dataTypes::singlePrecType< ValueType >::type, memorySpace > & dftfe::pseudopotentialBaseClass< ValueType, memorySpace >::getCouplingMatrixSinglePrec ( CouplingType couplingtype = CouplingType::HamiltonianEntries )

pure virtual

Implemented in dftfe::oncvClass< ValueType, memorySpace >.

getNonLocalOperator()

template<typename ValueType, dftfe::utils::MemorySpace memorySpace>

virtual const std::shared_ptr< AtomicCenteredNonLocalOperator< ValueType, memorySpace > > dftfe::pseudopotentialBaseClass< ValueType, memorySpace >::getNonLocalOperator ( )

pure virtual

Implemented in dftfe::oncvClass< ValueType, memorySpace >.

getNonLocalOperatorSinglePrec()

template<typename ValueType, dftfe::utils::MemorySpace memorySpace>

virtual const std::shared_ptr< AtomicCenteredNonLocalOperator< typename dftfe::dataTypes::singlePrecType< ValueType >::type, memorySpace > > dftfe::pseudopotentialBaseClass< ValueType, memorySpace >::getNonLocalOperatorSinglePrec ( )

virtual

Reimplemented in dftfe::oncvClass< ValueType, memorySpace >.

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

• workspace/include/pseudopotentialBaseClass.h