•All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Modules Pages
Search Results
mpqc::lcao::CABSSingles< Tile > Class Template Reference
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 | |
| CABSSingles ()=default | |
| CABSSingles (LCAOFactoryType &lcao_factory) | |
| real_t compute (bool df, bool d, bool couple_virtual) | |
Member Typedef Documentation
◆ LCAOFactoryType
template<typename Tile >
| using mpqc::lcao::CABSSingles< Tile >::LCAOFactoryType = LCAOFactory<Tile, Policy> |
◆ Matrix
template<typename Tile >
| using mpqc::lcao::CABSSingles< Tile >::Matrix = RowMatrix<real_t> |
◆ Policy
template<typename Tile >
| using mpqc::lcao::CABSSingles< Tile >::Policy = TA::SparsePolicy |
◆ real_t
template<typename Tile >
| using mpqc::lcao::CABSSingles< Tile >::real_t = typename Tile::scalar_type |
◆ TArray
template<typename Tile >
| using mpqc::lcao::CABSSingles< Tile >::TArray = TA::DistArray<Tile, Policy> |
Constructor & Destructor Documentation
◆ CABSSingles() [1/2]
template<typename Tile >
|
default |
◆ CABSSingles() [2/2]
template<typename Tile >
|
inline |
- Parameters
-
lcao_factory LCAOFactory Object
Member Function Documentation
◆ compute()
template<typename Tile >
| CABSSingles< Tile >::real_t mpqc::lcao::CABSSingles< Tile >::compute | ( | bool | df, |
| bool | d, | ||
| bool | couple_virtual | ||
| ) |
- Parameters
-
vir if include F_ia in singles, default is true d bool, F12 D Approach, default is false
include contribution of F_m^a into F_m^A'
not include contribution of F_m^a into F_m^A'
The documentation for this class was generated from the following file:
- mpqc/chemistry/qc/lcao/f12/cabs_singles.h
