factory for generating TwoElectronInterfaces More...
#include <function_factory.h>
Public Member Functions | |
| TwoElectronFactory (World &world) | |
| TwoElectronFactory & | BSH () |
| return the BSH operator More... | |
| TwoElectronFactory & | dcut (double dcut) |
| the smallest length scale to be represented (aka lo) More... | |
| TwoElectronFactory & | f12 () |
| return the operator (1 - exp(-gamma x) / (2 gamma) More... | |
| TwoElectronFactory & | gamma (double g) |
| the exponent of a slater function More... | |
| InterfacePtr | get_functor () const |
| return the functor; override this if the functor needs deferred construction More... | |
| TwoElectronFactory & | self () |
| TwoElectronFactory & | set_info (const OperatorInfo info1) |
| return the BSH operator More... | |
| TwoElectronFactory & | slater () |
| return the operator (1 - exp(-gamma x) / (2 gamma) More... | |
| TwoElectronFactory & | thresh (double thresh) |
| the requested precision More... | |
 Public Member Functions inherited from madness::FunctionFactory< double, 6 > | |
| FunctionFactory (World &world) | |
| virtual | ~FunctionFactory () |
| FunctionFactory & | autorefine () |
| FunctionFactory & | compressed (bool value=true) |
| FunctionFactory & | empty () |
| FunctionFactory & | f (double(*f)(const coordT &)) |
| FunctionFactory & | fence (bool fence=true) |
| std::enable_if< std::is_base_of< FunctionFunctorInterface< double, NDIM >, opT >::value, FunctionFactory & >::type | functor (const opT &op) |
| pass in a functor that is derived from FunctionFunctorInterface More... | |
| std::enable_if< not std::is_base_of< FunctionFunctorInterface< double, NDIM >, opT >::value, FunctionFactory & >::type | functor (const opT &op) |
| pass in a functor that is not derived from FunctionFunctorInterface More... | |
| FunctionFactory & | functor (const std::shared_ptr< FunctionFunctorInterface< double, NDIM > > &f) |
| int | get_k () const |
| double | get_thresh () const |
| World & | get_world () const |
| FunctionFactory & | initial_level (int initial_level) |
| virtual FunctionFactory & | is_on_demand () |
| virtual FunctionFactory & | k (int k) |
| FunctionFactory & | max_refine_level (int max_refine_level) |
| FunctionFactory & | no_functor () |
| FunctionFactory & | noautorefine () |
| FunctionFactory & | nofence () |
| FunctionFactory & | norefine (bool norefine=true) |
| FunctionFactory & | notruncate_on_project () |
| FunctionFactory & | pmap (const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > &pmap) |
| FunctionFactory & | refine (bool refine=true) |
| FunctionFactory & | self () |
| implement this in all derived classes for correct chaining More... | |
| FunctionFactory & | special_level (int special_level) |
| FunctionFactory & | special_points (std::vector< Vector< double, NDIM > > &special_points) |
| FunctionFactory & | truncate_mode (int truncate_mode) |
| FunctionFactory & | truncate_on_project () |
Protected Types | |
| typedef std::shared_ptr< FunctionFunctorInterface< T, NDIM > > | InterfacePtr |
Protected Attributes | |
| BoundaryConditions< NDIM > | bc_ |
| OperatorInfo | info |
| InterfacePtr | interface_ |
| the interface providing the actual coefficients More... | |
| Protected Attributes inherited from madness::FunctionFactory< double, 6 > | |
| bool | _autorefine |
| bool | _empty |
| bool | _fence |
| int | _initial_level |
| int | _k |
| int | _max_refine_level |
| std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > | _pmap |
| bool | _refine |
| int | _special_level |
| std::vector< Vector< double, NDIM > > | _special_points |
| double | _thresh |
| TreeState | _tree_state |
| int | _truncate_mode |
| bool | _truncate_on_project |
| World & | _world |
Detailed Description
template<typename T = double, std::size_t NDIM = 6>
class madness::TwoElectronFactory< T, NDIM >
factory for generating TwoElectronInterfaces
Member Typedef Documentation
◆ InterfacePtr
|
protected |
Constructor & Destructor Documentation
◆ TwoElectronFactory()
|
inline |
Member Function Documentation
◆ BSH()
|
inline |
return the BSH operator
References madness::TwoElectronFactory< T, NDIM >::info, madness::OT_BSH, and madness::OperatorInfo::type.
◆ dcut()
|
inline |
the smallest length scale to be represented (aka lo)
References madness::TwoElectronFactory< T, NDIM >::info, and madness::OperatorInfo::lo.
Referenced by compute_energy(), test_Kcommutator(), and test_U_el().
◆ f12()
|
inline |
return the operator (1 - exp(-gamma x) / (2 gamma)
References madness::TwoElectronFactory< T, NDIM >::info, madness::OT_F12, and madness::OperatorInfo::type.
Referenced by test_Kcommutator(), and test_multiply().
◆ gamma()
|
inline |
the exponent of a slater function
References madness::g, madness::TwoElectronFactory< T, NDIM >::info, and madness::OperatorInfo::mu.
Referenced by test_Kcommutator(), and test_multiply().
◆ get_functor()
|
inlinevirtual |
return the functor; override this if the functor needs deferred construction
Reimplemented from madness::FunctionFactory< double, 6 >.
References madness::TwoElectronFactory< T, NDIM >::info, and madness::TwoElectronFactory< T, NDIM >::interface_.
◆ self()
|
inline |
◆ set_info()
|
inline |
return the BSH operator
References madness::TwoElectronFactory< T, NDIM >::info.
◆ slater()
|
inline |
return the operator (1 - exp(-gamma x) / (2 gamma)
References madness::TwoElectronFactory< T, NDIM >::info, madness::OT_SLATER, and madness::OperatorInfo::type.
◆ thresh()
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inlinevirtual |
the requested precision
Reimplemented from madness::FunctionFactory< double, 6 >.
References madness::TwoElectronFactory< T, NDIM >::info, and madness::OperatorInfo::thresh.
Referenced by test_Kcommutator(), and test_multiply().
Member Data Documentation
◆ bc_
|
protected |
◆ info
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protected |
Referenced by madness::TwoElectronFactory< T, NDIM >::TwoElectronFactory(), madness::TwoElectronFactory< T, NDIM >::BSH(), madness::TwoElectronFactory< T, NDIM >::dcut(), madness::TwoElectronFactory< T, NDIM >::f12(), madness::TwoElectronFactory< T, NDIM >::gamma(), madness::TwoElectronFactory< T, NDIM >::get_functor(), madness::TwoElectronFactory< T, NDIM >::set_info(), madness::TwoElectronFactory< T, NDIM >::slater(), and madness::TwoElectronFactory< T, NDIM >::thresh().
◆ interface_
|
protected |
the interface providing the actual coefficients
Referenced by madness::TwoElectronFactory< T, NDIM >::get_functor().
The documentation for this class was generated from the following file:
