mpqc::lcao::DFDBRMP2F12< Tile > Class Template Reference

Collaboration diagram for mpqc::lcao::DFDBRMP2F12< Tile >:

Documentation

template<typename Tile>
class mpqc::lcao::DFDBRMP2F12< Tile >

Dual Basis MP2F12 method for closed shell with DF.

Public Types
using	TArray = TA::DistArray< Tile, TA::SparsePolicy >
Public Types inherited from mpqc::lcao::DFRMP2F12< Tile >
using	TArray = TA::DistArray< Tile, TA::SparsePolicy >

Public Member Functions
	DFDBRMP2F12 (const KeyVal &kv)
virtual	~DFDBRMP2F12 ()
void	evaluate (Energy *result) override
	override the evaluate function in RMP2F12 More...
Public Member Functions inherited from mpqc::lcao::DFRMP2F12< Tile >
	DFRMP2F12 (const KeyVal &kv)
	~DFRMP2F12 ()

Member Typedef Documentation

TArray

template<typename Tile >

using mpqc::lcao::DFDBRMP2F12< Tile >::TArray = TA::DistArray<Tile, TA::SparsePolicy>

Constructor & Destructor Documentation

DFDBRMP2F12()

template<typename Tile >

mpqc::lcao::DFDBRMP2F12< Tile >::DFDBRMP2F12

(

const KeyVal &

kv

)

KeyVal constructor

Parameters

kv	keywords: takes all keywords from DFRMP2F12 class

Keyword	Type	Default	Description
mp2	string	none	if to recompute mp2 energy(redo) or update

~DFDBRMP2F12()

template<typename Tile >

virtual mpqc::lcao::DFDBRMP2F12< Tile >::~DFDBRMP2F12 ( )

inlinevirtual

Member Function Documentation

evaluate()

template<typename Tile >

void mpqc::lcao::DFDBRMP2F12< Tile >::evaluate ( Energy *  result )

override

override the evaluate function in RMP2F12

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

• mpqc/chemistry/qc/lcao/f12/dbmp2f12.h
• mpqc/chemistry/qc/lcao/f12/dbmp2f12.ipp