mpqc::Property Class Referenceabstract
Collaboration diagram for mpqc::Property:
Documentation
this is the base for all properties that MPQC can compute via the input. MPQC main will read KeyVal and search for a Property object, compute it using the given wave function
Public Member Functions | |
| virtual void | evaluate ()=0 |
| evaluates this object More... | |
| virtual void | write (KeyVal &kv) const =0 |
 Public Member Functions inherited from mpqc::DescribedClass | |
| DescribedClass ()=default | |
| virtual | ~DescribedClass () |
| std::string | class_key () const |
| Public Member Functions inherited from mpqc::enable_shared_from_this< DescribedClass > | |
| virtual | ~enable_shared_from_this ()=default |
| std::shared_ptr< DescribedClass > | shared_from_this () |
| returns the pointer to this object More... | |
| std::shared_ptr< std::add_const_t< DescribedClass > > | shared_from_this () const |
| returns the pointer to this object More... | |
| Public Member Functions inherited from mpqc::detail::virt_base_of_enable_shared_from_this | |
| virtual | ~virt_base_of_enable_shared_from_this ()=default |
| bool | shared_from_this_possible () const |
| template<typename Target , typename = std::enable_if_t<!std::is_const_v<Target>>> | |
| std::shared_ptr< Target > | cast_shared_from_this_to () |
| returns the pointer to this cast to a particular type More... | |
| template<typename Target > | |
| std::shared_ptr< std::add_const_t< Target > > | cast_shared_from_this_to () const |
| returns the pointer to this cast to a particular type More... | |
Additional Inherited Members | |
| Public Types inherited from mpqc::DescribedClass | |
| typedef std::shared_ptr< DescribedClass >(* | keyval_ctor_wrapper_type) (const KeyVal &) |
| Static Public Member Functions inherited from mpqc::DescribedClass | |
| static keyval_ctor_wrapper_type | type_to_keyval_ctor (const std::string &type_name) |
| template<typename T > | |
| static void | register_keyval_ctor () |
| template<typename T > | |
| static bool | is_registered () |
| template<typename T > | |
| static std::string | class_key () |
| static const keyval_ctor_registry_type & | keyval_ctor_registry () |
| returns const ref to the keyval ctor registry More... | |
Member Function Documentation
◆ evaluate()
|
pure virtual |
evaluates this object
◆ write()
|
pure virtual |
prints this object to kv
- Parameters
-
kv the output KeyVal object
Implemented in mpqc::MolecularFiniteDifferenceDerivative< Order, Value >.
The documentation for this class was generated from the following file:
- mpqc/chemistry/qc/properties/property.h
