madness::UnaryOpStructure< NDIM > Struct Template Reference

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

#include <AC.h>

Collaboration diagram for madness::UnaryOpStructure< NDIM >:

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
std::shared_ptr< FunctionFunctorInterface< double, NDIM > >	f2
	shared pointer to object of lr_pot_functor

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]	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.

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

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

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()().

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

• AC.h