MADNESS
0.10.1
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computes the corrected exchange correlation potential using the hartree potential More...
#include <AC.h>
Public Member Functions | |
BinaryOpStructure () | |
necessary to compile the program without getting a strange error i dont understand More... | |
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 More... | |
computes the corrected exchange correlation potential using the hartree potential
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inline |
necessary to compile the program without getting a strange error i dont understand
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inline |
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inline |
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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::BinaryOpStructure< NDIM >::cdata, madness::copy(), madness::BaseTensor::dims(), madness::BinaryOpStructure< NDIM >::f, madness::fcube(), MADNESS_EXCEPTION, madness::BaseTensor::ndim(), and madness::FunctionCommonData< T, NDIM >::quad_x.
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inline |
FunctionCommonData<double,NDIM> madness::BinaryOpStructure< NDIM >::cdata |
Referenced by madness::BinaryOpStructure< NDIM >::operator()().
std::shared_ptr<FunctionFunctorInterface<double,NDIM> > madness::BinaryOpStructure< NDIM >::f |
shared pointer to object of int_factor_functor
Referenced by madness::BinaryOpStructure< NDIM >::operator()().