mpqc::lcao::DFRMP2F12< Tile > Class Template Reference
Documentation
template<typename Tile>
class mpqc::lcao::DFRMP2F12< Tile >
MP2F12 method for closed shell with DF.
Public Types | |
| using | TArray = TA::DistArray< Tile, TA::SparsePolicy > |
Public Member Functions | |
| DFRMP2F12 (const KeyVal &kv) | |
| ~DFRMP2F12 () | |
Member Typedef Documentation
◆ TArray
template<typename Tile >
| using mpqc::lcao::DFRMP2F12< Tile >::TArray = TA::DistArray<Tile, TA::SparsePolicy> |
Constructor & Destructor Documentation
◆ DFRMP2F12()
template<typename Tile >
| mpqc::lcao::DFRMP2F12< Tile >::DFRMP2F12 | ( | const KeyVal & | kv | ) |
KeyVal constructor
- Parameters
-
kv keywords: takes all keywords from LCAOWavefunction
| Keyword | Type | Default | Description |
|---|---|---|---|
| ref | Wavefunction | none | reference Wavefunction, RHF for example |
| approximation | char | C | approximation to use (C or D) |
| cabs_singles | bool | true | if do CABSSingles calculation |
Memeber functions for DFRMP2F12
◆ ~DFRMP2F12()
template<typename Tile >
|
inline |
The documentation for this class was generated from the following files:
- mpqc/chemistry/qc/lcao/f12/fwd.h
- mpqc/chemistry/qc/lcao/f12/mp2f12.h
- mpqc/chemistry/qc/lcao/f12/mp2f12.ipp
