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

Public Types
using	Policy = TA::SparsePolicy
using	TArray = TA::DistArray< Tile, Policy >
using	LCAOFactoryType = LCAOFactory< Tile, Policy >
using	real_t = typename Tile::scalar_type
using	Matrix = RowMatrix< real_t >

Public Member Functions
	CABSSingles ()=default
	CABSSingles (LCAOFactoryType &lcao_factory)
real_t	compute (bool df, bool d, bool couple_virtual)

Member Typedef Documentation

LCAOFactoryType

template<typename Tile >

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

Matrix

template<typename Tile >

using mpqc::lcao::CABSSingles< Tile >::Matrix = RowMatrix<real_t>

Policy

template<typename Tile >

using mpqc::lcao::CABSSingles< Tile >::Policy = TA::SparsePolicy

real_t

template<typename Tile >

using mpqc::lcao::CABSSingles< Tile >::real_t = typename Tile::scalar_type

TArray

template<typename Tile >

using mpqc::lcao::CABSSingles< Tile >::TArray = TA::DistArray<Tile, Policy>

Constructor & Destructor Documentation

CABSSingles() [1/2]

template<typename Tile >

mpqc::lcao::CABSSingles< Tile >::CABSSingles ( )

default

CABSSingles() [2/2]

template<typename Tile >

mpqc::lcao::CABSSingles< Tile >::CABSSingles ( LCAOFactoryType &  lcao_factory )

inline

Parameters

lcao_factory

LCAOFactory Object

Member Function Documentation

compute()

template<typename Tile >

CABSSingles< Tile >::real_t mpqc::lcao::CABSSingles< Tile >::compute	(	bool	df,
		bool	d,
		bool	couple_virtual
	)

Parameters

vir	if include F_ia in singles, default is true
d	bool, F12 D Approach, default is false

include contribution of F_m^a into F_m^A'

not include contribution of F_m^a into F_m^A'

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

• mpqc/chemistry/qc/lcao/f12/cabs_singles.h