Documentation

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>
class mpqc::HBSparseTensor< RR, RC, Abs, T >

Heat-bath sparse representation of a tensor of rank RI+RO

Classes
struct Element

struct Value

Public Types
using row_index_type = std::array< orbital_index_type, RR >

using col_index_type = std::array< orbital_index_type, RC >

using real_type = float

using magnitude_type = real_type

using empty_type = struct {}

using element_data_type = Element

using row_type = std::vector< element_data_type >

using row_iterator_type = typename row_type::iterator

Public Member Functions
template<typename Tensor >
HBSparseTensor (const Tensor &dense_tensor, magnitude_type epsilon)

const auto & row (const row_index_type &idx) const

bool row_exists (const row_index_type &idx) const

const auto & maxabs_element () const

Friends
template<class CharT , class Traits , std::size_t RR_, std::size_t RC_, bool Abs_, typename T_ >
std::basic_ostream< CharT, Traits > & operator<< (std::basic_ostream< CharT, Traits > &, const HBSparseTensor< RR_, RC_, Abs_, T_ > &)

Member Typedef Documentation

◆ col_index_type

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

using mpqc::HBSparseTensor< RR, RC, Abs, T >::col_index_type = std::array<orbital_index_type, RC>

◆ element_data_type

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

using mpqc::HBSparseTensor< RR, RC, Abs, T >::element_data_type = Element

◆ empty_type

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

using mpqc::HBSparseTensor< RR, RC, Abs, T >::empty_type = struct {}

◆ magnitude_type

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

using mpqc::HBSparseTensor< RR, RC, Abs, T >::magnitude_type = real_type

◆ real_type

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

using mpqc::HBSparseTensor< RR, RC, Abs, T >::real_type = float

◆ row_index_type

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

using mpqc::HBSparseTensor< RR, RC, Abs, T >::row_index_type = std::array<orbital_index_type, RR>

◆ row_iterator_type

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

using mpqc::HBSparseTensor< RR, RC, Abs, T >::row_iterator_type = typename row_type::iterator

◆ row_type

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

using mpqc::HBSparseTensor< RR, RC, Abs, T >::row_type = std::vector<element_data_type>

Constructor & Destructor Documentation

◆ HBSparseTensor()

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

template<typename Tensor >

mpqc::HBSparseTensor< RR, RC, Abs, T >::HBSparseTensor	(	const Tensor &	dense_tensor,
		magnitude_type	epsilon
	)

inline

Template Parameters

Tensor a dense tensor type

Parameters

[in]	dense_tensor	a dense tensor, with first `RC` modes serving as the row modes
[in]	epsilon	all values in `dense_tensor` of magnitude smaller than this are ignored

Member Function Documentation

◆ maxabs_element()

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

const auto& mpqc::HBSparseTensor< RR, RC, Abs, T >::maxabs_element ( ) const

inline

Returns: {{row_idx,col_idx},abs_value} of the element with the largest magnitude; if all elements were screened out abs_value will be -1.

◆ row()

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

const auto& mpqc::HBSparseTensor< RR, RC, Abs, T >::row ( const row_index_type & idx ) const

inline

Parameters

[in] idx row index

Returns: (reference to) the row element {col_idx,value} pairs, sorted in the order of descending magnitude

Precondition: this->row_exists(idx) == true

◆ row_exists()

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

bool mpqc::HBSparseTensor< RR, RC, Abs, T >::row_exists ( const row_index_type & idx ) const

inline

Parameters

[in] idx row index

Returns: true if row idx has at least 1 nonzero value

Friends And Related Function Documentation

◆ operator<<

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>

template<class CharT , class Traits , std::size_t RR_, std::size_t RC_, bool Abs_, typename T_ >

std::basic_ostream<CharT, Traits>& operator<<	(	std::basic_ostream< CharT, Traits > &	,
		const HBSparseTensor< RR_, RC_, Abs_, T_ > &
	)

friend

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

mpqc/math/fock/hb.h

Search Results

Documentation

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double> class mpqc::HBSparseTensor< RR, RC, Abs, T >

Classes

Public Types

Public Member Functions

Friends

Member Typedef Documentation

◆ col_index_type

◆ element_data_type

◆ empty_type

◆ magnitude_type

◆ real_type

◆ row_index_type

◆ row_iterator_type

◆ row_type

Constructor & Destructor Documentation

◆ HBSparseTensor()

Member Function Documentation

◆ maxabs_element()

◆ row()

◆ row_exists()

Friends And Related Function Documentation

◆ operator<<

template<std::size_t RR, std::size_t RC, bool Abs = false, typename T = double>
class mpqc::HBSparseTensor< RR, RC, Abs, T >