DFT-EFE
 
Loading...
Searching...
No Matches
dftefe::ksdft::ExcManager< memorySpace > Class Template Reference

#include <ExcManager.h>

Public Member Functions

 ExcManager ()
 Constructor. More...
 
 ~ExcManager ()
 destructor More...
 
void clear ()
 
void init (std::string XCType, const bool printXCInfo=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) More...
 
std::shared_ptr< xc_func_type > d_funcCPtr
 
std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > d_excObj
 

Constructor & Destructor Documentation

◆ ExcManager()

template<dftefe::utils::MemorySpace memorySpace>
dftefe::ksdft::ExcManager< memorySpace >::ExcManager

Constructor.

◆ ~ExcManager()

template<dftefe::utils::MemorySpace memorySpace>
dftefe::ksdft::ExcManager< memorySpace >::~ExcManager

destructor

Member Function Documentation

◆ clear()

template<dftefe::utils::MemorySpace memorySpace>
void dftefe::ksdft::ExcManager< memorySpace >::clear

◆ getExcSSDFunctionalObj() [1/2]

template<dftefe::utils::MemorySpace memorySpace>
ExcSSDFunctionalBaseClass< memorySpace > * dftefe::ksdft::ExcManager< memorySpace >::getExcSSDFunctionalObj

◆ getExcSSDFunctionalObj() [2/2]

template<dftefe::utils::MemorySpace memorySpace>
const ExcSSDFunctionalBaseClass< memorySpace > * dftefe::ksdft::ExcManager< memorySpace >::getExcSSDFunctionalObj

◆ getSSDSharedObj() [1/2]

template<dftefe::utils::MemorySpace memorySpace>
std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > & dftefe::ksdft::ExcManager< memorySpace >::getSSDSharedObj

◆ getSSDSharedObj() [2/2]

template<dftefe::utils::MemorySpace memorySpace>
const std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > & dftefe::ksdft::ExcManager< memorySpace >::getSSDSharedObj

◆ init()

template<dftefe::utils::MemorySpace memorySpace>
void dftefe::ksdft::ExcManager< memorySpace >::init ( std::string  XCType,
const bool  printXCInfo = true 
)

Member Data Documentation

◆ d_excObj

template<dftefe::utils::MemorySpace memorySpace>
std::shared_ptr<ExcSSDFunctionalBaseClass<memorySpace> > dftefe::ksdft::ExcManager< memorySpace >::d_excObj
private

◆ d_funcCPtr

template<dftefe::utils::MemorySpace memorySpace>
std::shared_ptr<xc_func_type> dftefe::ksdft::ExcManager< memorySpace >::d_funcCPtr
private

◆ d_funcXPtr

template<dftefe::utils::MemorySpace memorySpace>
std::shared_ptr<xc_func_type> dftefe::ksdft::ExcManager< memorySpace >::d_funcXPtr
private

objects for various exchange-correlations (from libxc package)


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