mpqc::lcao::GF2F12< Tile > Class Template Reference

Documentation

template<typename Tile>
class mpqc::lcao::GF2F12< Tile >

GF2F12 class keyval name for this class GF2F12.

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
	GF2F12 ()=default
virtual	~GF2F12 ()
	GF2F12 (const KeyVal &kv)
bool	use_cabs () const
const std::string	dyson_method () const

Member Typedef Documentation

LCAOFactoryType

template<typename Tile >

using mpqc::lcao::GF2F12< Tile >::LCAOFactoryType = LCAOFactory<Tile, Policy>

Matrix

template<typename Tile >

using mpqc::lcao::GF2F12< Tile >::Matrix = RowMatrix<real_t>

Policy

template<typename Tile >

using mpqc::lcao::GF2F12< Tile >::Policy = TA::SparsePolicy

real_t

template<typename Tile >

using mpqc::lcao::GF2F12< Tile >::real_t = typename Tile::scalar_type

TArray

template<typename Tile >

using mpqc::lcao::GF2F12< Tile >::TArray = TA::DistArray<Tile, Policy>

Constructor & Destructor Documentation

GF2F12() [1/2]

template<typename Tile >

mpqc::lcao::GF2F12< Tile >::GF2F12 ( )

default

~GF2F12()

template<typename Tile >

virtual mpqc::lcao::GF2F12< Tile >::~GF2F12 ( )

inlinevirtual

GF2F12() [2/2]

template<typename Tile >

mpqc::lcao::GF2F12< Tile >::GF2F12 ( const KeyVal &  kv )

inline

KeyVal constructor

Parameters

kv	keywords: all keywords for LCAOWavefuction

Keyword	Type	Default	Description
ref	Wavefunction	none	reference Wavefunction, RHF for example
use_cabs	bool	true	if includes cabs in F12-V term
dyson_method	string	diagonal	dyson_method to use, (diagonal or nondiagonal )
max_iter	int	100	maximum iteration

Member Function Documentation

dyson_method()

template<typename Tile >

const std::string mpqc::lcao::GF2F12< Tile >::dyson_method ( ) const

inline

use_cabs()

template<typename Tile >

bool mpqc::lcao::GF2F12< Tile >::use_cabs ( ) const

inline

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

• mpqc/chemistry/qc/lcao/f12/fwd.h
• mpqc/chemistry/qc/lcao/f12/gf2f12.h