mpqc::lcao::cc::IPPred< Array > Class Template Reference

Collaboration diagram for mpqc::lcao::cc::IPPred< Array >:

Documentation

template<typename Array>
class mpqc::lcao::cc::IPPred< Array >

preconditioner for EOM-IP-CCSD, approximate the diagonal of H matrix

Public Types
using	element_type = typename Array::element_type
using	Tile = typename Array::value_type
using	ArrayVec = TA::DistArrayVector< typename Array::value_type, typename Array::policy_type >
Public Types inherited from mpqc::math::DavidsonDiagPred< D >
using	numeric_type = typename TA::detail::numeric_type< D >::type

Public Member Functions
	IPPred (const EigenVector< element_type > &eps_O, const EigenVector< element_type > &eps_V)
	IPPred ()=default
	~IPPred ()=default
virtual void	operator() (const EigenVector< element_type > &e, std::vector< ArrayVec > &guess) const override
	override the abstract virtual function More...
void	compute (const element_type &e, ArrayVec &guess) const
Public Member Functions inherited from mpqc::math::DavidsonDiagPred< D >
virtual void	operator() (const EigenVector< numeric_type > &e, std::vector< D > &guess) const =0
virtual numeric_type	norm (const D &d) const
virtual	~DavidsonDiagPred ()=default

Public Attributes
EigenVector< element_type >	eps_o
	diagonal of F_ij matrix More...
EigenVector< element_type >	eps_v
	diagonal of F_ab matrix More...

Member Typedef Documentation

ArrayVec

template<typename Array >

using mpqc::lcao::cc::IPPred< Array >::ArrayVec = TA::DistArrayVector<typename Array::value_type, typename Array::policy_type>

element_type

template<typename Array >

using mpqc::lcao::cc::IPPred< Array >::element_type = typename Array::element_type

Tile

template<typename Array >

using mpqc::lcao::cc::IPPred< Array >::Tile = typename Array::value_type

Constructor & Destructor Documentation

IPPred() [1/2]

template<typename Array >

mpqc::lcao::cc::IPPred< Array >::IPPred ( const EigenVector< element_type > &  eps_O, const EigenVector< element_type > &  eps_V  )

inline

IPPred() [2/2]

template<typename Array >

mpqc::lcao::cc::IPPred< Array >::IPPred ( )

default

~IPPred()

template<typename Array >

mpqc::lcao::cc::IPPred< Array >::~IPPred ( )

default

Member Function Documentation

compute()

template<typename Array >

void mpqc::lcao::cc::IPPred< Array >::compute ( const element_type &  e, ArrayVec &  guess  ) const

inline

operator()()

template<typename Array >

virtual void mpqc::lcao::cc::IPPred< Array >::operator() ( const EigenVector< element_type > &  e, std::vector< ArrayVec > &  guess  ) const

inlineoverridevirtual

override the abstract virtual function

Member Data Documentation

eps_o

template<typename Array >

EigenVector<element_type> mpqc::lcao::cc::IPPred< Array >::eps_o

diagonal of F_ij matrix

eps_v

template<typename Array >

EigenVector<element_type> mpqc::lcao::cc::IPPred< Array >::eps_v

diagonal of F_ab matrix

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

• mpqc/chemistry/qc/lcao/cc/eom/eom_preconditioner.h