mpqc::lcao::DecoratedOrbitalSpace< Array, OrbitalAttribute, AttributeTag > Class Template Reference
Collaboration diagram for mpqc::lcao::DecoratedOrbitalSpace< Array, OrbitalAttribute, AttributeTag >:
Documentation
template<typename Array, typename OrbitalAttribute, typename AttributeTag = std::true_type>
class mpqc::lcao::DecoratedOrbitalSpace< Array, OrbitalAttribute, AttributeTag >
an OrbitalSpace where each orbital in addition to irrep has additional attributes
- Template Parameters
-
Array the type that represents the expansion coefficients Attribute the type of decoration AttributeTag useful to distinguish instances of DecoratedOrbitalSpace with built-in Attributes
Classes | |
| class | Provider |
Public Member Functions | |
| DecoratedOrbitalSpace ()=default | |
| DecoratedOrbitalSpace (const OrbitalIndex &idx, const OrbitalIndex &ao_idx, const Array &tarray, const std::vector< OrbitalAttribute > &attributes) | |
| ~DecoratedOrbitalSpace () | |
| template<typename Visitor > | |
| void | evaluate (std::shared_ptr< Visitor > visitor) |
| const std::vector< OrbitalAttribute > & | attributes () const |
 Public Member Functions inherited from mpqc::lcao::OrbitalSpace< Array > | |
| OrbitalSpace ()=default | |
| makes a default-initialized array More... | |
| OrbitalSpace (const OrbitalIndex &idx, const OrbitalIndex &ao_idx, const Array &tarray) | |
| OrbitalSpace (const OrbitalIndex &idx, const OrbitalIndex &ao_idx, const Array &tarray, std::shared_ptr< const Group > group, std::vector< Group::ordinal_type > irrep_indices=std::vector< Group::ordinal_type >()) | |
| template<typename Visitor > | |
| void | evaluate (std::shared_ptr< Visitor > visitor) |
| virtual | ~OrbitalSpace () |
| const OrbitalIndex & | index () const |
| const OrbitalIndex & | ao_index () const |
| const Array & | coefs () const |
| size_t | rank () const |
| size_t | ao_rank () const |
| const TA::TiledRange1 & | trange () const |
| const TA::TiledRange1 & | ao_trange () const |
| const std::string & | descriptor () const |
| std::shared_ptr< const Group > | group () const |
| const std::vector< Group::ordinal_type > & | irrep_indices () const |
| TA::expressions::TsrExpr< Array, true > | operator() (const std::string &vars) |
| interface to TA::Array () function More... | |
| TA::expressions::TsrExpr< const Array, true > | operator() (const std::string &vars) const |
| interface to TA::Array () function More... | |
Additional Inherited Members | |
| Public Types inherited from mpqc::lcao::OrbitalSpace< Array > | |
| using | array_type = Array |
| using | Group = ::mpqc::math::Group |
Constructor & Destructor Documentation
◆ DecoratedOrbitalSpace() [1/2]
template<typename Array , typename OrbitalAttribute , typename AttributeTag = std::true_type>
|
default |
◆ DecoratedOrbitalSpace() [2/2]
template<typename Array , typename OrbitalAttribute , typename AttributeTag = std::true_type>
|
inline |
Constructor
- Parameters
-
idx an OrbitalIndex that represents this space; it is converted to the base index ao_idx an OrbitalIndex that represents the AO space supporting this space; it is converted to the base index tarray a TiledArray::DistArray type attributes a vector of OrbitalAttribute objects particle_type_tag an optional particle type tag (default is 0)
◆ ~DecoratedOrbitalSpace()
template<typename Array , typename OrbitalAttribute , typename AttributeTag = std::true_type>
|
inline |
Member Function Documentation
◆ attributes()
template<typename Array , typename OrbitalAttribute , typename AttributeTag = std::true_type>
|
inline |
◆ evaluate()
template<typename Array , typename OrbitalAttribute , typename AttributeTag = std::true_type>
template<typename Visitor >
|
inline |
constructs this DecoratedOrbitalSpace using a visiting Provider
- Template Parameters
-
Visitor a class derived from OrbitalSpace::Provider
The documentation for this class was generated from the following file:
- mpqc/chemistry/qc/lcao/expression/orbital_space.h
