mpqc::lcao::RLaplaceMP2< Tile, Policy > Class Template Reference

Documentation

template<typename Tile, typename Policy>
class mpqc::lcao::RLaplaceMP2< Tile, Policy >

Laplace MP2 class for closed-shell system.

KeyVal type of this class Laplace RMP2

Public Member Functions
	RLaplaceMP2 (KeyVal const &kv)
virtual	~RLaplaceMP2 ()
bool	can_evaluate (Energy *energy) override
void	evaluate (Energy *result) override
void	obsolete () override
const std::shared_ptr< lcao::Wavefunction >	ref_wfn () const

Constructor & Destructor Documentation

RLaplaceMP2()

template<typename Tile , typename Policy >

mpqc::lcao::RLaplaceMP2< Tile, Policy >::RLaplaceMP2

(

KeyVal const &

kv

)

KeyVal constructor

Parameters

kv	keywords: takes all keywords from LCAOWavefunction plus the following additional keywords: KeyWord Type Default Description ref Wavefunction none reference Wavefunction, RHF for example quadrature_rank integer 5 number of points in Gauss-Legendre quadrature

~RLaplaceMP2()

template<typename Tile , typename Policy >

virtual mpqc::lcao::RLaplaceMP2< Tile, Policy >::~RLaplaceMP2 ( )

inlinevirtual

Member Function Documentation

can_evaluate()

template<typename Tile , typename Policy >

bool mpqc::lcao::RLaplaceMP2< Tile, Policy >::can_evaluate ( Energy *  energy )

inlineoverride

evaluate()

template<typename Tile , typename Policy >

void mpqc::lcao::RLaplaceMP2< Tile, Policy >::evaluate ( Energy *  result )

override

obsolete()

template<typename Tile , typename Policy >

void mpqc::lcao::RLaplaceMP2< Tile, Policy >::obsolete ( )

inlineoverride

ref_wfn()

template<typename Tile , typename Policy >

const std::shared_ptr<lcao::Wavefunction> mpqc::lcao::RLaplaceMP2< Tile, Policy >::ref_wfn ( ) const

inline

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

• mpqc/chemistry/qc/lcao/mbpt/fwd.h
• mpqc/chemistry/qc/lcao/mbpt/laplace_mp2.h