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

Documentation

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

EffectiveFockBuilder modifies a DistArrayVector of Fock matrices to a form that is usable by a particular method

Public Types
using	array_type = TA::DistArray< Tile, Policy >
using	arrayvec_type = TA::DistArrayVector< Tile, Policy >

Public Member Functions
	EffectiveFockBuilder ()=default
	EffectiveFockBuilder (EffectiveFockBuilder const &)=default
	EffectiveFockBuilder (EffectiveFockBuilder &&)=default
EffectiveFockBuilder &	operator= (EffectiveFockBuilder const &)=default
EffectiveFockBuilder &	operator= (EffectiveFockBuilder &&)=default
virtual	~EffectiveFockBuilder ()
virtual arrayvec_type	operator() (arrayvec_type const &F, arrayvec_type const &D) const =0
	produces an effective Fock matrix More...

Member Typedef Documentation

array_type

template<typename Tile , typename Policy >

using mpqc::lcao::EffectiveFockBuilder< Tile, Policy >::array_type = TA::DistArray<Tile, Policy>

arrayvec_type

template<typename Tile , typename Policy >

using mpqc::lcao::EffectiveFockBuilder< Tile, Policy >::arrayvec_type = TA::DistArrayVector<Tile, Policy>

Constructor & Destructor Documentation

EffectiveFockBuilder() [1/3]

template<typename Tile , typename Policy >

mpqc::lcao::EffectiveFockBuilder< Tile, Policy >::EffectiveFockBuilder ( )

default

EffectiveFockBuilder() [2/3]

template<typename Tile , typename Policy >

mpqc::lcao::EffectiveFockBuilder< Tile, Policy >::EffectiveFockBuilder ( EffectiveFockBuilder< Tile, Policy > const &  )

default

EffectiveFockBuilder() [3/3]

template<typename Tile , typename Policy >

mpqc::lcao::EffectiveFockBuilder< Tile, Policy >::EffectiveFockBuilder ( EffectiveFockBuilder< Tile, Policy > &&  )

default

~EffectiveFockBuilder()

template<typename Tile , typename Policy >

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

inlinevirtual

Member Function Documentation

operator()()

template<typename Tile , typename Policy >

virtual arrayvec_type mpqc::lcao::EffectiveFockBuilder< Tile, Policy >::operator() ( arrayvec_type const &  F, arrayvec_type const &  D  ) const

pure virtual

produces an effective Fock matrix

Parameters

F	the unmodified DistArrayVector of Fock matrices
D	the DistArrayVector of (1-particle) density matrices

Returns

The modified DistArrayVector of Fock matrices

Implemented in mpqc::lcao::RoothaanEffectiveFockBuilder< Tile, Policy >, and mpqc::lcao::IdentityEffectiveFockBuilder< Tile, Policy >.

operator=() [1/2]

template<typename Tile , typename Policy >

EffectiveFockBuilder& mpqc::lcao::EffectiveFockBuilder< Tile, Policy >::operator= ( EffectiveFockBuilder< Tile, Policy > &&  )

default

operator=() [2/2]

template<typename Tile , typename Policy >

EffectiveFockBuilder& mpqc::lcao::EffectiveFockBuilder< Tile, Policy >::operator= ( EffectiveFockBuilder< Tile, Policy > const &  )

default

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

• mpqc/chemistry/qc/lcao/scf/effective_fock_builder.h