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_typeeps_o
 diagonal of F_ij matrix More...
 
EigenVector< element_typeeps_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


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