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mpqc::lcao::DBRMP2< Tile, Policy > Class Template Reference
Collaboration diagram for mpqc::lcao::DBRMP2< Tile, Policy >:
Documentation
template<typename Tile, typename Policy>
class mpqc::lcao::DBRMP2< Tile, Policy >
Dual basis MP2 method for closed shell system.
Public Types | |
| using TArray = TA::DistArray< Tile, Policy > | |
| using LCAOFactoryType = lcao::LCAOFactory< Tile, Policy > | |
Public Member Functions | |
| DBRMP2 ()=default | |
| virtual ~DBRMP2 ()=default | |
| DBRMP2 (const KeyVal &kv) | |
| void obsolete () override | |
| virtual double compute_scf_correction () | |
| function More... | |
 Public Member Functions inherited from mpqc::lcao::RMP2< Tile, Policy > | |
| RMP2 (const KeyVal &kv) | |
| virtual ~RMP2 () | |
| void obsolete () override | |
| const std::shared_ptr< lcao::Wavefunction > refwfn () const | |
Protected Member Functions | |
| void init () | |
| Protected Member Functions inherited from mpqc::lcao::RMP2< Tile, Policy > | |
| bool can_evaluate (Energy *energy) override | |
| void evaluate (Energy *result) override | |
| virtual double compute () | |
| function to compute mp2 correlation energy More... | |
Additional Inherited Members | |
| Protected Attributes inherited from mpqc::lcao::RMP2< Tile, Policy > | |
| std::shared_ptr< lcao::Wavefunction > ref_wfn_ | |
| initialize orbitals More... | |
Member Typedef Documentation
◆ LCAOFactoryType
template<typename Tile , typename Policy >
| using mpqc::lcao::DBRMP2< Tile, Policy >::LCAOFactoryType = lcao::LCAOFactory<Tile, Policy> |
◆ TArray
template<typename Tile , typename Policy >
| using mpqc::lcao::DBRMP2< Tile, Policy >::TArray = TA::DistArray<Tile, Policy> |
Constructor & Destructor Documentation
◆ DBRMP2() [1/2]
template<typename Tile , typename Policy >
|
default |
◆ ~DBRMP2()
template<typename Tile , typename Policy >
|
virtualdefault |
◆ DBRMP2() [2/2]
template<typename Tile , typename Policy >
| mpqc::lcao::DBRMP2< Tile, Policy >::DBRMP2 | ( | const KeyVal & | kv | ) |
member function of DBRMP2
Member Function Documentation
◆ compute_scf_correction()
template<typename Tile , typename Policy >
|
virtual |
function
Reimplemented in mpqc::lcao::DFDBRMP2< Tile, Policy >.
◆ init()
template<typename Tile , typename Policy >
|
protected |
◆ obsolete()
template<typename Tile , typename Policy >
|
override |
The documentation for this class was generated from the following files:
