madness::BinaryOpStructure< NDIM > Struct Template Reference

computes the corrected exchange correlation potential using the hartree potential More...

#include <AC.h>

Collaboration diagram for madness::BinaryOpStructure< NDIM >:

Public Member Functions
	BinaryOpStructure ()
	necessary to compile the program without getting a strange error i dont understand
	BinaryOpStructure (const BinaryOpStructure< NDIM > &other)
	BinaryOpStructure (const std::shared_ptr< FunctionFunctorInterface< double, NDIM > > f_)
void	operator() (const Key< NDIM > &key, Tensor< double > &result, const Tensor< double > &vxc, const Tensor< double > &vhartree) 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

Detailed Description

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

computes the corrected exchange correlation potential using the hartree potential

Constructor & Destructor Documentation

BinaryOpStructure() [1/3]

template<unsigned long int NDIM>

madness::BinaryOpStructure< NDIM >::BinaryOpStructure ( )

inline

necessary to compile the program without getting a strange error i dont understand

BinaryOpStructure() [2/3]

template<unsigned long int NDIM>

madness::BinaryOpStructure< NDIM >::BinaryOpStructure ( const std::shared_ptr< FunctionFunctorInterface< double, NDIM > >  f_ )

inline

BinaryOpStructure() [3/3]

template<unsigned long int NDIM>

madness::BinaryOpStructure< NDIM >::BinaryOpStructure ( const BinaryOpStructure< NDIM > &  other )

inline

Member Function Documentation

operator()()

template<unsigned long int NDIM>

void madness::BinaryOpStructure< NDIM >::operator() ( const Key< NDIM > &  key, Tensor< double > &  result, const Tensor< double > &  vxc, const Tensor< double > &  vhartree  ) 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::BinaryOpStructure< NDIM >::cdata, madness::copy(), madness::BaseTensor::dims(), madness::Tensor< T >::emul(), madness::BinaryOpStructure< NDIM >::f, madness::fcube(), MADNESS_EXCEPTION, madness::BaseTensor::ndim(), and madness::FunctionCommonData< T, NDIM >::quad_x.

serialize()

template<unsigned long int NDIM>

template<typename Archive >

void madness::BinaryOpStructure< NDIM >::serialize ( Archive &  ar )

inline

Member Data Documentation

cdata

template<unsigned long int NDIM>

FunctionCommonData<double,NDIM> madness::BinaryOpStructure< NDIM >::cdata

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

f

template<unsigned long int NDIM>

std::shared_ptr<FunctionFunctorInterface<double,NDIM> > madness::BinaryOpStructure< NDIM >::f

shared pointer to object of int_factor_functor

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

---

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

• AC.h