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mpqc::lcao::GF2F12< Tile > Class Template Reference
Documentation
template<typename Tile>
class mpqc::lcao::GF2F12< Tile >
Public Types | |
| using Policy = TA::SparsePolicy | |
| using TArray = TA::DistArray< Tile, Policy > | |
| using LCAOFactoryType = LCAOFactory< Tile, Policy > | |
| using real_t = typename Tile::scalar_type | |
| using Matrix = RowMatrix< real_t > | |
Public Member Functions | |
| GF2F12 ()=default | |
| virtual ~GF2F12 () | |
| GF2F12 (const KeyVal &kv) | |
| bool use_cabs () const | |
| const std::string dyson_method () const | |
Member Typedef Documentation
◆ LCAOFactoryType
template<typename Tile >
| using mpqc::lcao::GF2F12< Tile >::LCAOFactoryType = LCAOFactory<Tile, Policy> |
◆ Matrix
template<typename Tile >
| using mpqc::lcao::GF2F12< Tile >::Matrix = RowMatrix<real_t> |
◆ Policy
template<typename Tile >
| using mpqc::lcao::GF2F12< Tile >::Policy = TA::SparsePolicy |
◆ real_t
template<typename Tile >
| using mpqc::lcao::GF2F12< Tile >::real_t = typename Tile::scalar_type |
◆ TArray
template<typename Tile >
| using mpqc::lcao::GF2F12< Tile >::TArray = TA::DistArray<Tile, Policy> |
Constructor & Destructor Documentation
◆ GF2F12() [1/2]
template<typename Tile >
|
default |
◆ ~GF2F12()
template<typename Tile >
|
inlinevirtual |
◆ GF2F12() [2/2]
template<typename Tile >
|
inline |
KeyVal constructor
- Parameters
-
kv keywords: all keywords for LCAOWavefuction
| Keyword | Type | Default | Description |
|---|---|---|---|
| ref | Wavefunction | none | reference Wavefunction, RHF for example |
| use_cabs | bool | true | if includes cabs in F12-V term |
| dyson_method | string | diagonal | dyson_method to use, (diagonal or nondiagonal ) |
| max_iter | int | 100 | maximum iteration |
Member Function Documentation
◆ dyson_method()
template<typename Tile >
|
inline |
◆ use_cabs()
template<typename Tile >
|
inline |
The documentation for this class was generated from the following files:
