MADNESS
0.10.1
|
computes the corrected exchange correlation potential using the multipole approximation More...
#include <AC.h>
Public Member Functions | |
UnaryOpStructure (const std::shared_ptr< FunctionFunctorInterface< double, NDIM > > f_, const std::shared_ptr< FunctionFunctorInterface< double, NDIM > > f2_) | |
void | operator() (const Key< NDIM > &key, Tensor< double > &t) const |
template<typename Archive > | |
void | serialize (Archive &ar) |
Public Attributes | |
FunctionCommonData< double, NDIM > | cdata |
std::shared_ptr< FunctionFunctorInterface< double, NDIM > > | f |
shared pointer to object of int_factor_functor More... | |
std::shared_ptr< FunctionFunctorInterface< double, NDIM > > | f2 |
shared pointer to object of lr_pot_functor More... | |
computes the corrected exchange correlation potential using the multipole approximation
|
inline |
|
inline |
computes the corrected potential (weighting with correction factor and adding of 1/r potential)
[in] | t | uncorrected exchange correlation potential |
[out] | t | corrected exchange correlation potential |
References madness::UnaryOpStructure< NDIM >::cdata, madness::BaseTensor::dims(), madness::Tensor< T >::emul(), madness::UnaryOpStructure< NDIM >::f, madness::UnaryOpStructure< NDIM >::f2, madness::fcube(), madness::BaseTensor::ndim(), and madness::FunctionCommonData< T, NDIM >::quad_x.
|
inline |
FunctionCommonData<double,NDIM> madness::UnaryOpStructure< NDIM >::cdata |
Referenced by madness::UnaryOpStructure< NDIM >::operator()().
std::shared_ptr<FunctionFunctorInterface<double,NDIM> > madness::UnaryOpStructure< NDIM >::f |
shared pointer to object of int_factor_functor
Referenced by madness::UnaryOpStructure< NDIM >::operator()().
std::shared_ptr<FunctionFunctorInterface<double,NDIM> > madness::UnaryOpStructure< NDIM >::f2 |
shared pointer to object of lr_pot_functor
Referenced by madness::UnaryOpStructure< NDIM >::operator()().