sdseq.h File Reference
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Classes

struct  mpqc::SlaterDeterminant< StringRange, std::enable_if_t<!meta::is_string_v< StringRange > > >
 
struct  mpqc::SlaterDeterminant< StringRange, std::enable_if_t<!meta::is_string_v< StringRange > > >::hash
 
struct  mpqc::SlaterDeterminant< StringRange, std::enable_if_t<!meta::is_string_v< StringRange > > >::equal_to
 
struct  mpqc::SlaterDeterminant< String, std::enable_if_t< meta::is_string_v< String > > >
 
struct  mpqc::SlaterDeterminant< String, std::enable_if_t< meta::is_string_v< String > > >::hash
 
class  mpqc::SlaterDeterminantSet< StringRange, HashMap >
 
struct  mpqc::utility::sdhashcompare< StringOrStringRange, Spin >
 
struct  mpqc::utility::sdequal< StringOrStringRange, Spin >
 
struct  mpqc::SlaterDeterminantSparseMatrix< String, Spin >
 

Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::utility
 

Functions

template<typename String , typename = std::enable_if_t<meta::is_string_v<String>>>
const auto & mpqc::value (const String &str)
 
template<typename T1 , typename T2 >
const auto & mpqc::alpha (const std::pair< T1, T2 > &p)
 
template<typename T1 , typename T2 >
auto & mpqc::alpha (std::pair< T1, T2 > &p)
 
template<typename T1 , typename T2 >
const auto & mpqc::alpha (const std::tuple< T1, T2 > &p)
 
template<typename T1 , typename T2 >
auto & mpqc::alpha (std::tuple< T1, T2 > &p)
 
template<typename T1 , typename T2 >
const auto & mpqc::beta (const std::pair< T1, T2 > &p)
 
template<typename T1 , typename T2 >
auto & mpqc::beta (std::pair< T1, T2 > &p)
 
template<typename T1 , typename T2 >
const auto & mpqc::beta (const std::tuple< T1, T2 > &p)
 
template<typename T1 , typename T2 >
auto & mpqc::beta (std::tuple< T1, T2 > &p)
 
template<typename StringRange , typename = std::enable_if_t<!meta::is_string_v<StringRange>>>
const auto & mpqc::alpha (const SlaterDeterminant< StringRange > &det)
 
template<typename StringRange , typename = std::enable_if_t<!meta::is_string_v<StringRange>>>
auto & mpqc::alpha (SlaterDeterminant< StringRange > &det)
 
template<typename StringRange , typename = std::enable_if_t<!meta::is_string_v<StringRange>>>
const auto & mpqc::alphastr (const SlaterDeterminant< StringRange > &det)
 
template<typename String , typename = std::enable_if_t<meta::is_string_v<String>>>
auto mpqc::alpha (const SlaterDeterminant< String > &det)
 
template<typename String , typename = std::enable_if_t<meta::is_string_v<String>>>
auto mpqc::alpha (SlaterDeterminant< String > &det)
 
template<typename String >
std::enable_if_t< meta::is_string_v< String >, const String & > mpqc::alphastr (const SlaterDeterminant< String > &det)
 
template<typename StringRange , typename = std::enable_if_t<!meta::is_string_v<StringRange>>>
decltype(auto) mpqc::beta (const SlaterDeterminant< StringRange > &det)
 
template<typename StringRange , typename = std::enable_if_t<!meta::is_string_v<StringRange>>>
auto & mpqc::beta (SlaterDeterminant< StringRange > &det)
 
template<typename StringRange , typename = std::enable_if_t<!meta::is_string_v<StringRange>>>
const auto & mpqc::betastr (const SlaterDeterminant< StringRange > &det)
 
template<typename String , typename = std::enable_if_t<meta::is_string_v<String>>>
auto mpqc::beta (const SlaterDeterminant< String > &det)
 
template<typename String , typename = std::enable_if_t<meta::is_string_v<String>>>
auto mpqc::beta (SlaterDeterminant< String > &det)
 
template<typename String >
std::enable_if_t< meta::is_string_v< String >, const String & > mpqc::betastr (const SlaterDeterminant< String > &det)
 
template<typename RangeA , typename RangeB , typename = std::enable_if_t<TiledArray::detail::is_range_v<RangeA> && TiledArray::detail::is_range_v<RangeB>>>
decltype(auto) mpqc::begin (const std::pair< RangeA, RangeB > &rng)
 
template<typename RangeA , typename RangeB , typename = std::enable_if_t<TiledArray::detail::is_range_v<RangeA> && TiledArray::detail::is_range_v<RangeB>>>
decltype(auto) mpqc::end (const std::pair< RangeA, RangeB > &rng)
 
auto mpqc::occ_range (const std::pair< PopulatedSparseOrbitalRange, PopulatedSparseOrbitalRange > &poporbs)
 
auto mpqc::uocc_range (const std::pair< PopulatedSparseOrbitalRange, PopulatedSparseOrbitalRange > &poporbs)
 
template<class CharT , class Traits , typename StringRange >
std::basic_ostream< CharT, Traits > & mpqc::operator<< (std::basic_ostream< CharT, Traits > &os, const SlaterDeterminant< StringRange > &sd)
 
template<SpinCase1 Spin = SpinCase1::Alpha, typename StringRange , template< typename... > class HashMap>
auto mpqc::make_sdmat (const SlaterDeterminantSet< StringRange, HashMap > &sdset, bool recompute_ordinals=false)