MADNESS: PNOTensors::Tensor_IJ_KJ< T > Class Template Reference

MADNESS 0.10.1

#include <PNOTensors.h>

Public Member Functions
	Tensor_IJ_KJ (size_t n)

	~Tensor_IJ_KJ ()=default

madness::Tensor< T >	get (size_t i, size_t j, size_t k) const

std::tuple< size_t, bool >	ijk (size_t i, size_t j, size_t k) const

bool	is_initialized (size_t i, size_t j, size_t k) const

bool	is_unique (size_t i, size_t j, size_t k) const

void	reset ()

void	set (size_t i, size_t j, size_t k, const madness::Tensor< T > &t)

Private Attributes
std::valarray< madness::Tensor< T > >	data_

int	n_

Detailed Description

template<typename T>
class PNOTensors::Tensor_IJ_KJ< T >

stores pairs of pairs that share second index (i.e. {ij} and {kj}, where i >= j) as a 3-index tensor: case 1 – i >= j, j >= k: store as {{ij},k} case 2 – i >= j, k > j: only need i >= k, or ij >= kj; store as {{ij},k}

Constructor & Destructor Documentation

◆ Tensor_IJ_KJ()

template<typename T >

PNOTensors::Tensor_IJ_KJ< T >::Tensor_IJ_KJ ( size_t n )

inline

References PNOTensors::Tensor_IJ_KJ< T >::reset().

◆ ~Tensor_IJ_KJ()

template<typename T >

PNOTensors::Tensor_IJ_KJ< T >::~Tensor_IJ_KJ ( )

default

Member Function Documentation

◆ get()

template<typename T >

madness::Tensor<T> PNOTensors::Tensor_IJ_KJ< T >::get	(	size_t	i,
		size_t	j,
		size_t	k
	)		const

inline

References PNOTensors::Tensor_IJ_KJ< T >::data_, PNOTensors::Tensor_IJ_KJ< T >::ijk(), k, PNOTensors::Tensor_IJ_KJ< T >::n_, and madness::swap().

Referenced by madness::PNO::update_pno().

◆ ijk()

template<typename T >

std::tuple<size_t,bool> PNOTensors::Tensor_IJ_KJ< T >::ijk	(	size_t	i,
		size_t	j,
		size_t	k
	)		const

inline

References k, PNOTensors::Tensor_IJ_KJ< T >::n_, and PNOTensors::tridx().

Referenced by PNOTensors::Tensor_IJ_KJ< T >::get(), PNOTensors::Tensor_IJ_KJ< T >::is_initialized(), and PNOTensors::Tensor_IJ_KJ< T >::set().

◆ is_initialized()

template<typename T >

bool PNOTensors::Tensor_IJ_KJ< T >::is_initialized	(	size_t	i,
		size_t	j,
		size_t	k
	)		const

inline

References PNOTensors::Tensor_IJ_KJ< T >::data_, PNOTensors::Tensor_IJ_KJ< T >::ijk(), k, and PNOTensors::Tensor_IJ_KJ< T >::n_.

Referenced by madness::PNO::iterate_pairs_internal(), and madness::PNO::update_pno().

◆ is_unique()

template<typename T >

bool PNOTensors::Tensor_IJ_KJ< T >::is_unique	(	size_t	i,
		size_t	j,
		size_t	k
	)		const

inline

References k, and PNOTensors::Tensor_IJ_KJ< T >::n_.

◆ reset()

template<typename T >

void PNOTensors::Tensor_IJ_KJ< T >::reset ( )

inline

References PNOTensors::Tensor_IJ_KJ< T >::data_.

Referenced by PNOTensors::Tensor_IJ_KJ< T >::Tensor_IJ_KJ(), madness::PNOPairs::clear_intermediates(), madness::PNO::iterate_pairs_internal(), and madness::PNO::update_pno().

◆ set()

template<typename T >

void PNOTensors::Tensor_IJ_KJ< T >::set	(	size_t	i,
		size_t	j,
		size_t	k,
		const madness::Tensor< T > &	t
	)

inline

References PNOTensors::Tensor_IJ_KJ< T >::data_, PNOTensors::Tensor_IJ_KJ< T >::ijk(), k, PNOTensors::Tensor_IJ_KJ< T >::n_, madness::swap(), and madness::Tensor< T >::swapdim().

Referenced by madness::PNO::iterate_pairs_internal(), and madness::PNO::update_pno().

Member Data Documentation

◆ data_

template<typename T >

std::valarray<madness::Tensor<T> > PNOTensors::Tensor_IJ_KJ< T >::data_

private

Referenced by PNOTensors::Tensor_IJ_KJ< T >::get(), PNOTensors::Tensor_IJ_KJ< T >::is_initialized(), PNOTensors::Tensor_IJ_KJ< T >::reset(), and PNOTensors::Tensor_IJ_KJ< T >::set().

◆ n_

template<typename T >

int PNOTensors::Tensor_IJ_KJ< T >::n_

private

Referenced by PNOTensors::Tensor_IJ_KJ< T >::get(), PNOTensors::Tensor_IJ_KJ< T >::ijk(), PNOTensors::Tensor_IJ_KJ< T >::is_initialized(), PNOTensors::Tensor_IJ_KJ< T >::is_unique(), and PNOTensors::Tensor_IJ_KJ< T >::set().

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

PNOTensors.h