#include <SCFOperators.h>
|
| Nuclear (World &world, const Molecule &molecule) |
| simple constructor takes a molecule, no nuclear correlation factor or core potentials
|
|
| Nuclear (World &world, const NemoBase *nemo) |
|
| Nuclear (World &world, const SCF *calc) |
|
| Nuclear (World &world, std::shared_ptr< NuclearCorrelationFactor > ncf) |
|
std::string | info () const |
| print some information about this operator
|
|
T | operator() (const Function< T, NDIM > &bra, const Function< T, NDIM > &ket) const |
| compute the matrix element <bra | op | ket>
|
|
Function< T, NDIM > | operator() (const Function< T, NDIM > &ket) const |
|
Tensor< T > | operator() (const std::vector< Function< T, NDIM > > &vbra, const std::vector< Function< T, NDIM > > &vket) const |
|
std::vector< Function< T, NDIM > > | operator() (const std::vector< Function< T, NDIM > > &vket) const |
|
| SCFOperatorBase ()=default |
|
| SCFOperatorBase (std::shared_ptr< MacroTaskQ > taskq) |
|
virtual | ~SCFOperatorBase () |
|
virtual tensorT | operator() (const vecfuncT &vbra, const vecfuncT &vket) const =0 |
| compute the matrix <vbra | op | vket>
|
|
virtual vecfuncT | operator() (const vecfuncT &vket) const =0 |
| apply this operator on the argument vector of functions
|
|
◆ Nuclear() [1/4]
template<typename
T , std::size_t NDIM>
◆ Nuclear() [2/4]
template<typename
T , std::size_t NDIM>
◆ Nuclear() [3/4]
template<typename
T , std::size_t NDIM>
◆ Nuclear() [4/4]
template<typename
T , std::size_t NDIM>
◆ info()
template<typename
T , std::size_t NDIM>
◆ operator()() [1/4]
template<typename
T , std::size_t NDIM>
◆ operator()() [2/4]
template<typename
T , std::size_t NDIM>
◆ operator()() [3/4]
template<typename
T , std::size_t NDIM>
◆ operator()() [4/4]
template<typename
T , std::size_t NDIM>
◆ ncf
template<typename
T , std::size_t NDIM>
◆ world
template<typename
T , std::size_t NDIM>
The documentation for this class was generated from the following files: