dftfe::excManager< memorySpace > Class Template Reference

#include <excManager.h>

Public Member Functions
	excManager ()
	Constructor.
	~excManager ()
	destructor
void	clear ()
void	init (std::string XCType, bool isSpinPolarized, std::string modelXCInputFile, const bool printXCInfo=true, const bool useLibXC=true)
ExcSSDFunctionalBaseClass< memorySpace > *	getExcSSDFunctionalObj ()
const ExcSSDFunctionalBaseClass< memorySpace > *	getExcSSDFunctionalObj () const
const std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > &	getSSDSharedObj () const
std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > &	getSSDSharedObj ()

Private Attributes
std::shared_ptr< xc_func_type >	d_funcXPtr
	objects for various exchange-correlations (from libxc package)
std::shared_ptr< xc_func_type >	d_funcCPtr
std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > >	d_excObj

Constructor & Destructor Documentation

excManager()

template<dftfe::utils::MemorySpace memorySpace>

dftfe::excManager< memorySpace >::excManager

(

)

Constructor.

~excManager()

template<dftfe::utils::MemorySpace memorySpace>

dftfe::excManager< memorySpace >::~excManager

(

)

destructor

Member Function Documentation

clear()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::excManager< memorySpace >::clear

(

)

getExcSSDFunctionalObj() [1/2]

template<dftfe::utils::MemorySpace memorySpace>

ExcSSDFunctionalBaseClass< memorySpace > * dftfe::excManager< memorySpace >::getExcSSDFunctionalObj

(

)

getExcSSDFunctionalObj() [2/2]

template<dftfe::utils::MemorySpace memorySpace>

const ExcSSDFunctionalBaseClass< memorySpace > * dftfe::excManager< memorySpace >::getExcSSDFunctionalObj

(

)

const

getSSDSharedObj() [1/2]

template<dftfe::utils::MemorySpace memorySpace>

std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > & dftfe::excManager< memorySpace >::getSSDSharedObj

(

)

getSSDSharedObj() [2/2]

template<dftfe::utils::MemorySpace memorySpace>

const std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > & dftfe::excManager< memorySpace >::getSSDSharedObj

(

)

const

init()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::excManager< memorySpace >::init	(	std::string	XCType,
		bool	isSpinPolarized,
		std::string	modelXCInputFile,
		const bool	printXCInfo = true,
		const bool	useLibXC = true )

Member Data Documentation

d_excObj

template<dftfe::utils::MemorySpace memorySpace>

std::shared_ptr<ExcSSDFunctionalBaseClass<memorySpace> > dftfe::excManager< memorySpace >::d_excObj

private

d_funcCPtr

template<dftfe::utils::MemorySpace memorySpace>

std::shared_ptr<xc_func_type> dftfe::excManager< memorySpace >::d_funcCPtr

private

d_funcXPtr

template<dftfe::utils::MemorySpace memorySpace>

std::shared_ptr<xc_func_type> dftfe::excManager< memorySpace >::d_funcXPtr

private

objects for various exchange-correlations (from libxc package)

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

• workspace/include/excManager.h