MADNESS  0.10.1
Public Member Functions | Public Attributes | List of all members
madness::UnaryOpStructure< NDIM > Struct Template Reference

computes the corrected exchange correlation potential using the multipole approximation More...

#include <AC.h>

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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, NDIMcdata
 
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...
 

Detailed Description

template<unsigned long int NDIM>
struct madness::UnaryOpStructure< NDIM >

computes the corrected exchange correlation potential using the multipole approximation

Constructor & Destructor Documentation

◆ UnaryOpStructure()

template<unsigned long int NDIM>
madness::UnaryOpStructure< NDIM >::UnaryOpStructure ( const std::shared_ptr< FunctionFunctorInterface< double, NDIM > >  f_,
const std::shared_ptr< FunctionFunctorInterface< double, NDIM > >  f2_ 
)
inline

Member Function Documentation

◆ operator()()

template<unsigned long int NDIM>
void madness::UnaryOpStructure< NDIM >::operator() ( const Key< NDIM > &  key,
Tensor< double > &  t 
) const
inline

computes the corrected potential (weighting with correction factor and adding of 1/r potential)

Parameters
[in]tuncorrected exchange correlation potential
[out]tcorrected 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.

◆ serialize()

template<unsigned long int NDIM>
template<typename Archive >
void madness::UnaryOpStructure< NDIM >::serialize ( Archive &  ar)
inline

Member Data Documentation

◆ cdata

template<unsigned long int NDIM>
FunctionCommonData<double,NDIM> madness::UnaryOpStructure< NDIM >::cdata

◆ f

template<unsigned long int NDIM>
std::shared_ptr<FunctionFunctorInterface<double,NDIM> > madness::UnaryOpStructure< NDIM >::f

shared pointer to object of int_factor_functor

Referenced by madness::UnaryOpStructure< NDIM >::operator()().

◆ f2

template<unsigned long int NDIM>
std::shared_ptr<FunctionFunctorInterface<double,NDIM> > madness::UnaryOpStructure< NDIM >::f2

shared pointer to object of lr_pot_functor

Referenced by madness::UnaryOpStructure< NDIM >::operator()().


The documentation for this struct was generated from the following file: