pairinteraction::Database Class Reference

#include <Database.hpp>

Public Member Functions
	Database ()
	Database (bool download_missing)
	Database (std::filesystem::path database_dir)
	Database (bool download_missing, bool use_cache, std::filesystem::path database_dir)
	~Database ()
std::shared_ptr< const KetAtom >	get_ket (const std::string &species, const AtomDescriptionByParameters &description)
template<typename Scalar >
std::shared_ptr< const BasisAtom< Scalar > >	get_basis (const std::string &species, const AtomDescriptionByRanges &description, std::vector< size_t > additional_ket_ids)
template<typename Scalar >
Eigen::SparseMatrix< Scalar, Eigen::RowMajor >	get_matrix_elements (std::shared_ptr< const BasisAtom< Scalar > > initial_basis, std::shared_ptr< const BasisAtom< Scalar > > final_basis, OperatorType type, int q)
bool	get_download_missing () const
bool	get_use_cache () const
std::filesystem::path	get_database_dir () const

Static Public Member Functions
static Database &	get_global_instance ()
static Database &	get_global_instance (bool download_missing)
static Database &	get_global_instance (std::filesystem::path database_dir)
static Database &	get_global_instance (bool download_missing, bool use_cache, std::filesystem::path database_dir)

Detailed Description

Definition at line 38 of file Database.hpp.

Constructor & Destructor Documentation

Database() [1/4]

pairinteraction::Database::Database

(

)

Definition at line 30 of file Database.cpp.

Database() [2/4]

pairinteraction::Database::Database

(

bool

download_missing

)

Definition at line 32 of file Database.cpp.

Database() [3/4]

pairinteraction::Database::Database

(

std::filesystem::path

database_dir

)

Definition at line 35 of file Database.cpp.

Database() [4/4]

pairinteraction::Database::Database	(	bool	download_missing,
		bool	use_cache,
		std::filesystem::path	database_dir
	)

Definition at line 38 of file Database.cpp.

References pairinteraction::paths::get_config_directory(), and pairinteraction::utils::hash_combine().

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~Database()

pairinteraction::Database::~Database ( )

default

Member Function Documentation

get_basis()

template<typename Scalar >

std::shared_ptr< const BasisAtom< Scalar > > pairinteraction::Database::get_basis	(	const std::string &	species,
		const AtomDescriptionByRanges &	description,
		std::vector< size_t >	additional_ket_ids
	)

Definition at line 467 of file Database.cpp.

References pairinteraction::Range< Sortable >::is_finite(), pairinteraction::Range< Sortable >::max(), pairinteraction::Range< Sortable >::min(), pairinteraction::AtomDescriptionByRanges::parity, pairinteraction::AtomDescriptionByRanges::range_energy, pairinteraction::AtomDescriptionByRanges::range_quantum_number_f, pairinteraction::AtomDescriptionByRanges::range_quantum_number_j, pairinteraction::AtomDescriptionByRanges::range_quantum_number_j_ryd, pairinteraction::AtomDescriptionByRanges::range_quantum_number_l, pairinteraction::AtomDescriptionByRanges::range_quantum_number_l_ryd, pairinteraction::AtomDescriptionByRanges::range_quantum_number_m, pairinteraction::AtomDescriptionByRanges::range_quantum_number_n, pairinteraction::AtomDescriptionByRanges::range_quantum_number_nu, pairinteraction::AtomDescriptionByRanges::range_quantum_number_nui, pairinteraction::AtomDescriptionByRanges::range_quantum_number_s, pairinteraction::utils::SQL_TERM_FOR_LINEARIZED_ID_IN_DATABASE, fmt::streamed(), and pairinteraction::UNKNOWN.

Referenced by pairinteraction::BasisAtomCreator< Scalar >::create(), and pairinteraction::DOCTEST_TEST_CASE().

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get_database_dir()

std::filesystem::path pairinteraction::Database::get_database_dir

(

)

const

Definition at line 1058 of file Database.cpp.

get_download_missing()

bool pairinteraction::Database::get_download_missing

(

)

const

Definition at line 1054 of file Database.cpp.

get_global_instance() [1/4]

Database & pairinteraction::Database::get_global_instance ( )

static

Definition at line 1068 of file Database.cpp.

Referenced by pairinteraction::DOCTEST_TEST_CASE(), and pairinteraction::run_unit_tests().

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get_global_instance() [2/4]

Database & pairinteraction::Database::get_global_instance ( bool  download_missing )

static

Definition at line 1073 of file Database.cpp.

get_global_instance() [3/4]

Database & pairinteraction::Database::get_global_instance ( bool  download_missing, bool  use_cache, std::filesystem::path  database_dir  )

static

Definition at line 1097 of file Database.cpp.

get_global_instance() [4/4]

Database & pairinteraction::Database::get_global_instance ( std::filesystem::path  database_dir )

static

Definition at line 1083 of file Database.cpp.

get_ket()

std::shared_ptr< const KetAtom > pairinteraction::Database::get_ket	(	const std::string &	species,
		const AtomDescriptionByParameters &	description
	)

Definition at line 154 of file Database.cpp.

References pairinteraction::AtomDescriptionByParameters::energy, pairinteraction::utils::get_linearized_id_in_database(), pairinteraction::AtomDescriptionByParameters::parity, pairinteraction::AtomDescriptionByParameters::quantum_number_f, pairinteraction::AtomDescriptionByParameters::quantum_number_j, pairinteraction::AtomDescriptionByParameters::quantum_number_j_ryd, pairinteraction::AtomDescriptionByParameters::quantum_number_l, pairinteraction::AtomDescriptionByParameters::quantum_number_l_ryd, pairinteraction::AtomDescriptionByParameters::quantum_number_m, pairinteraction::AtomDescriptionByParameters::quantum_number_n, pairinteraction::AtomDescriptionByParameters::quantum_number_nu, pairinteraction::AtomDescriptionByParameters::quantum_number_nui, pairinteraction::AtomDescriptionByParameters::quantum_number_s, fmt::streamed(), and pairinteraction::UNKNOWN.

Referenced by pairinteraction::KetAtomCreator::create(), and pairinteraction::DOCTEST_TEST_CASE().

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get_matrix_elements()

template<typename Scalar >

Eigen::SparseMatrix< Scalar, Eigen::RowMajor > pairinteraction::Database::get_matrix_elements	(	std::shared_ptr< const BasisAtom< Scalar > >	initial_basis,
		std::shared_ptr< const BasisAtom< Scalar > >	final_basis,
		OperatorType	type,
		int	q
	)

Definition at line 905 of file Database.cpp.

Referenced by pairinteraction::DOCTEST_TEST_CASE().

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get_use_cache()

bool pairinteraction::Database::get_use_cache

(

)

const

Definition at line 1056 of file Database.cpp.

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

• /__w/pairinteraction/pairinteraction/src/cpp/include/pairinteraction/database/Database.hpp
• /__w/pairinteraction/pairinteraction/src/cpp/src/database/Database.cpp