mpqc::SlaterDeterminantSparseMatrix< String, Spin > Struct Template Reference

Documentation

template<typename String, SpinCase1 Spin>
struct mpqc::SlaterDeterminantSparseMatrix< String, Spin >

Slater determinant set as a sparse matrix (hashtable of alpha strings, with all beta strings in the row)

Public Types
using	base_type = StringToSortedVector< String, std::pair< SlaterDeterminant< String >, std::int64_t >, utility::sdhashcompare< String, flip(Spin)>, utility::sdequal< String, flip(Spin)> >
using	ordinal_type = std::int64_t
using	col_const_iterator = typename base_type::col_const_iterator

Public Member Functions
auto &	base ()
const auto &	base () const
bool	contains (const String &astr, const String &bstr) const
std::optional< col_const_iterator >	safe_find (const String &astr, const String &bstr) const
auto	insert (const String &astr, const String &bstr, std::int64_t ord=-1)
auto	to_string_set (SpinCase1 spin) const
	extracts the list of strings of case spin More...
auto	transpose () const
	transpose More...
void	recompute_ordinals (ordinal_type start=0)
	recomputes ordinals More...
bool	operator== (const SlaterDeterminantSparseMatrix &other) const

Static Public Member Functions
static constexpr SpinCase1	spincase ()

Member Typedef Documentation

base_type

template<typename String , SpinCase1 Spin>

using mpqc::SlaterDeterminantSparseMatrix< String, Spin >::base_type = StringToSortedVector<String, std::pair<SlaterDeterminant<String>, std::int64_t>, utility::sdhashcompare<String, flip(Spin)>, utility::sdequal<String, flip(Spin)> >

col_const_iterator

template<typename String , SpinCase1 Spin>

using mpqc::SlaterDeterminantSparseMatrix< String, Spin >::col_const_iterator = typename base_type::col_const_iterator

ordinal_type

template<typename String , SpinCase1 Spin>

using mpqc::SlaterDeterminantSparseMatrix< String, Spin >::ordinal_type = std::int64_t

Member Function Documentation

base() [1/2]

template<typename String , SpinCase1 Spin>

auto& mpqc::SlaterDeterminantSparseMatrix< String, Spin >::base ( )

inline

base() [2/2]

template<typename String , SpinCase1 Spin>

const auto& mpqc::SlaterDeterminantSparseMatrix< String, Spin >::base ( ) const

inline

contains()

template<typename String , SpinCase1 Spin>

bool mpqc::SlaterDeterminantSparseMatrix< String, Spin >::contains ( const String &  astr, const String &  bstr  ) const

inline

Returns

true if contains a determinant corresponding to astr and bstr

insert()

template<typename String , SpinCase1 Spin>

auto mpqc::SlaterDeterminantSparseMatrix< String, Spin >::insert ( const String &  astr, const String &  bstr, std::int64_t  ord = -1  )

inline

try inserting SlaterDeterminant(astr,bstr)

Parameters

[in]

ord

the ordinal to use for the

Returns

std::pair containing iterator to the existing or newly inserted SD and bool flag indicating whether insertion took place

operator==()

template<typename String , SpinCase1 Spin>

bool mpqc::SlaterDeterminantSparseMatrix< String, Spin >::operator== ( const SlaterDeterminantSparseMatrix< String, Spin > &  other ) const

inline

comparison operator returns true if *this and other contain same set of determinants, potentially in different order

recompute_ordinals()

template<typename String , SpinCase1 Spin>

void mpqc::SlaterDeterminantSparseMatrix< String, Spin >::recompute_ordinals ( ordinal_type  start = 0 )

inline

recomputes ordinals

safe_find()

template<typename String , SpinCase1 Spin>

std::optional<col_const_iterator> mpqc::SlaterDeterminantSparseMatrix< String, Spin >::safe_find ( const String &  astr, const String &  bstr  ) const

inline

Returns

iterator pointing to the determinant corresponding to astr and bstr, if any

spincase()

template<typename String , SpinCase1 Spin>

static constexpr SpinCase1 mpqc::SlaterDeterminantSparseMatrix< String, Spin >::spincase ( )

inlinestaticconstexpr

to_string_set()

template<typename String , SpinCase1 Spin>

auto mpqc::SlaterDeterminantSparseMatrix< String, Spin >::to_string_set ( SpinCase1  spin ) const

inline

extracts the list of strings of case spin

transpose()

template<typename String , SpinCase1 Spin>

auto mpqc::SlaterDeterminantSparseMatrix< String, Spin >::transpose ( ) const

inline

transpose

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

• mpqc/math/fock/fwd.h
• mpqc/math/fock/sdseq.h