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: