hb.h File Reference
#include "mpqc/math/fock/iter.h"
#include "mpqc/math/fock/orb.h"
#include "mpqc/util/misc/generator.h"
#include "mpqc/util/misc/tuple.h"
#include <btas/tensor.h>
#include <boost/iterator/iterator_facade.hpp>
#include <array>
#include <map>
#include <utility>
#include <vector>
Include dependency graph for hb.h:
This graph shows which files directly or indirectly include this file:
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::detail | |
Functions | |
template<class CharT , class Traits , std::size_t RR, std::size_t RC, bool Abs, typename T > | |
std::basic_ostream< CharT, Traits > & | mpqc::operator<< (std::basic_ostream< CharT, Traits > &os, const HBSparseTensor< RR, RC, Abs, T > &hbtensor) |
template<std::size_t RC, std::size_t RA, typename FString , bool AbsHBData = true, typename T = double> | |
auto | mpqc::make_hb_str_repl (const FString &str, std::shared_ptr< HBSparseTensor< RC, RA, AbsHBData, T >> hb_data, typename HBSparseTensor< RC, RA, AbsHBData, T >::magnitude_type eps) |
makes an HB generator of string replacements More... | |
template<std::size_t RCa, std::size_t RCb, std::size_t RAa, std::size_t RAb, typename StringOrStringRange , bool AbsHBData = true, typename T = double> | |
auto | mpqc::make_hb_sd_repl (const SlaterDeterminant< StringOrStringRange > &sd, std::shared_ptr< HBSparseTensor< RCa+RCb, RAa+RAb, AbsHBData, T >> hb_data, typename HBSparseTensor< RCa+RCb, RAa+RAb, AbsHBData, T >::magnitude_type eps) |
makes an HB generator of determinant replacements More... | |
template<std::size_t R> | |
constexpr std::array< char, R+1 > | mpqc::detail::make_opstr (const char S) |
template<std::size_t RCa, std::size_t RCb, std::size_t RAa, std::size_t RAb, typename String , bool AbsHBData = true, typename T = double, typename ReplFilter = const decltype(detail::always_true)&> | |
void | mpqc::generate_hb_sd_repl (SlaterDeterminantSparseMatrix< String > &hb_sdset, std::shared_ptr< HBSparseTensor< RCa+RCb, RAa+RAb, AbsHBData, T >> hb_data, const SlaterDeterminant< String > &sd, typename HBSparseTensor< RCa+RCb, RAa+RAb, AbsHBData, T >::magnitude_type eps, bool debug=false, ReplFilter &&repl_filter=detail::always_true) |
HB-generates determinants and inserts into a SlaterDeterminantSet. More... | |
template<std::size_t RCa, std::size_t RCb, std::size_t RAa, std::size_t RAb, typename StringSet , bool AbsHBData = true, typename T = double> | |
void | mpqc::generate_hb_sd_repl (SlaterDeterminantSet< StringSet > &hb_sdset, std::shared_ptr< HBSparseTensor< RCa+RCb, RAa+RAb, AbsHBData, T >> hb_data, const SlaterDeterminant< StringSet > &sd, typename HBSparseTensor< RCa+RCb, RAa+RAb, AbsHBData, T >::magnitude_type eps, bool debug=false) |
HB-generates determinants and inserts into a SlaterDeterminantSet. More... | |
Variables | |
constexpr auto | mpqc::detail::always_true = [](const auto& any) { return true; } |