Collaboration diagram for mpqc::lcao::DFDBRMP2< Tile, Policy >:

Documentation

\breif Dual basis MP2 method for closed shell system with density-fitting

KeyVal type keyword: DF-DBRMP2

Public Member Functions
	DFDBRMP2 (const KeyVal &kv)

	~DFDBRMP2 ()

double	compute_scf_correction () override
	override DBRMP2's compute_scf_correction function More...

Public Member Functions inherited from mpqc::lcao::DBRMP2< Tile, Policy >
	DBRMP2 ()=default

virtual	~DBRMP2 ()=default

	DBRMP2 (const KeyVal &kv)

void	obsolete () override

Public Member Functions inherited from mpqc::lcao::RMP2< Tile, Policy >
	RMP2 (const KeyVal &kv)

virtual	~RMP2 ()

void	obsolete () override

const std::shared_ptr< lcao::Wavefunction >	refwfn () const

Additional Inherited Members
Public Types inherited from mpqc::lcao::DBRMP2< Tile, Policy >
using	TArray = TA::DistArray< Tile, Policy >

using	LCAOFactoryType = lcao::LCAOFactory< Tile, Policy >

Protected Member Functions inherited from mpqc::lcao::DBRMP2< Tile, Policy >
void	init ()

Protected Member Functions inherited from mpqc::lcao::RMP2< Tile, Policy >
bool	can_evaluate (Energy *energy) override

void	evaluate (Energy *result) override

Protected Attributes inherited from mpqc::lcao::RMP2< Tile, Policy >
std::shared_ptr< lcao::Wavefunction >	ref_wfn_
	initialize orbitals More...

Constructor & Destructor Documentation

template<typename Tile , typename Policy >

mpqc::lcao::DFDBRMP2< Tile, Policy >::DFDBRMP2 ( const KeyVal & kv )

inline

KeyVal constructor

this class inherit all keywords from DBRMP2

template<typename Tile , typename Policy >

mpqc::lcao::DFDBRMP2< Tile, Policy >::~DFDBRMP2 ( )

inline

template<typename Tile , typename Policy >

double mpqc::lcao::DFDBRMP2< Tile, Policy >::compute_scf_correction

overridevirtual

override DBRMP2's compute_scf_correction function

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