mpqc::lcao::cc::StateSpecificPNOEEPred< Array > Class Template Reference
Collaboration diagram for mpqc::lcao::cc::StateSpecificPNOEEPred< Array >:
Documentation
template<typename Array>
class mpqc::lcao::cc::StateSpecificPNOEEPred< Array >
State Specific PNO preconditioner for EOM-CCSD.
Public Types | |
| using | Tile = typename Array::value_type |
| using | Policy = typename Array::policy_type |
| using | Matrix = RowMatrix< typename Tile::numeric_type > |
| using | Vector = EigenVector< typename Tile::numeric_type > |
| using | ArrayVec = TA::DistArrayVector< typename Array::value_type, typename Array::policy_type > |
| using | WorldObject_ = madness::WorldObject< StateSpecificPNOEEPred< Array > > |
 Public Types inherited from mpqc::math::DavidsonDiagPred< D > | |
| using | numeric_type = typename TA::detail::numeric_type< D >::type |
Public Member Functions | |
| StateSpecificPNOEEPred (const std::vector< Array > &T2, const Vector &eps_o, const Matrix &F_uocc, double tpno, double tosv, bool pno_canonical, LCAOFactory< Tile, Policy > &factory) | |
| ~StateSpecificPNOEEPred ()=default | |
| virtual void | operator() (const EigenVector< typename Tile::numeric_type > &e, std::vector< ArrayVec > &guess) const |
| void | compute (std::size_t i, const typename Tile::numeric_type &e, ArrayVec &guess) const |
| const std::vector< Matrix > & | pnos (int i) const |
| return pnos for root i More... | |
| const std::vector< Matrix > & | osvs (int i) const |
| return osvs for root i More... | |
| double | tpno () const |
| return pno truncation threshold More... | |
| double | tosv () const |
| return osv truncation threshold More... | |
| 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 |
Member Typedef Documentation
◆ ArrayVec
template<typename Array >
| using mpqc::lcao::cc::StateSpecificPNOEEPred< Array >::ArrayVec = TA::DistArrayVector<typename Array::value_type, typename Array::policy_type> |
◆ Matrix
template<typename Array >
| using mpqc::lcao::cc::StateSpecificPNOEEPred< Array >::Matrix = RowMatrix<typename Tile::numeric_type> |
◆ Policy
template<typename Array >
| using mpqc::lcao::cc::StateSpecificPNOEEPred< Array >::Policy = typename Array::policy_type |
◆ Tile
template<typename Array >
| using mpqc::lcao::cc::StateSpecificPNOEEPred< Array >::Tile = typename Array::value_type |
◆ Vector
template<typename Array >
| using mpqc::lcao::cc::StateSpecificPNOEEPred< Array >::Vector = EigenVector<typename Tile::numeric_type> |
◆ WorldObject_
template<typename Array >
| using mpqc::lcao::cc::StateSpecificPNOEEPred< Array >::WorldObject_ = madness::WorldObject<StateSpecificPNOEEPred<Array> > |
Constructor & Destructor Documentation
◆ StateSpecificPNOEEPred()
template<typename Array >
|
inline |
◆ ~StateSpecificPNOEEPred()
template<typename Array >
|
default |
Member Function Documentation
◆ compute()
template<typename Array >
|
inline |
◆ operator()()
template<typename Array >
|
inlinevirtual |
◆ osvs()
template<typename Array >
|
inline |
return osvs for root i
◆ pnos()
template<typename Array >
|
inline |
return pnos for root i
◆ tosv()
template<typename Array >
|
inline |
return osv truncation threshold
◆ tpno()
template<typename Array >
|
inline |
return pno truncation threshold
The documentation for this class was generated from the following file:
- mpqc/chemistry/qc/lcao/cc/eom/eom_preconditioner.h
