#include <BasisPair.hpp>

Inheritance diagram for pairinteraction::BasisPair< Scalar >:

Collaboration diagram for pairinteraction::BasisPair< Scalar >:

Public Types
using	Type = BasisPair< Scalar >

using	real_t = typename traits::CrtpTraits< Type >::real_t

using	ket_t = typename traits::CrtpTraits< Type >::ket_t

using	ketvec_t = typename traits::CrtpTraits< Type >::ketvec_t

using	range_t = Range< size_t >

using	map_size_t = std::unordered_map< size_t, size_t >

using	map_range_t = std::unordered_map< size_t, range_t >

using	map_indices_t = std::unordered_map< std::vector< size_t >, size_t, utils::hash< std::vector< size_t > > >

Public Types inherited from pairinteraction::Basis< BasisPair< Scalar > >
using	scalar_t = typename traits::CrtpTraits< BasisPair< Scalar > >::scalar_t

using	real_t = typename traits::CrtpTraits< BasisPair< Scalar > >::real_t

using	ket_t = typename traits::CrtpTraits< BasisPair< Scalar > >::ket_t

using	ketvec_t = typename traits::CrtpTraits< BasisPair< Scalar > >::ketvec_t

Public Types inherited from pairinteraction::TransformationBuilderInterface< traits::CrtpTraits< BasisPair< Scalar > >::scalar_t >
using	real_t = typename traits::NumTraits< traits::CrtpTraits< BasisPair< Scalar > >::scalar_t >::real_t

Public Member Functions
	BasisPair (Private, ketvec_t &&kets, map_range_t &&map_range_of_state_index2, map_indices_t &&state_indices_to_ket_index, std::shared_ptr< const BasisAtom< Scalar > > basis1, std::shared_ptr< const BasisAtom< Scalar > > basis2)

const range_t &	get_index_range (size_t state_index1) const

std::shared_ptr< const BasisAtom< Scalar > >	get_basis1 () const

std::shared_ptr< const BasisAtom< Scalar > >	get_basis2 () const

int	get_ket_index_from_tuple (size_t state_index1, size_t state_index2) const

Eigen::VectorX< Scalar >	get_amplitudes (std::shared_ptr< const KetAtom > ket1, std::shared_ptr< const KetAtom > ket2) const

Eigen::SparseMatrix< Scalar, Eigen::RowMajor >	get_amplitudes (std::shared_ptr< const BasisAtom< Scalar > > other1, std::shared_ptr< const BasisAtom< Scalar > > other2) const

Eigen::VectorX< real_t >	get_overlaps (std::shared_ptr< const KetAtom > ket1, std::shared_ptr< const KetAtom > ket2) const

Eigen::SparseMatrix< real_t, Eigen::RowMajor >	get_overlaps (std::shared_ptr< const BasisAtom< Scalar > > other1, std::shared_ptr< const BasisAtom< Scalar > > other2) const

Eigen::VectorX< Scalar >	get_matrix_elements (std::shared_ptr< const ket_t >, OperatorType, int) const override

Eigen::SparseMatrix< Scalar, Eigen::RowMajor >	get_matrix_elements (std::shared_ptr< const Type >, OperatorType, int) const override

Eigen::VectorX< Scalar >	get_matrix_elements (std::shared_ptr< const ket_t > ket, OperatorType type1, OperatorType type2, int q1=0, int q2=0) const

Eigen::VectorX< Scalar >	get_matrix_elements (std::shared_ptr< const KetAtom > ket1, std::shared_ptr< const KetAtom > ket2, OperatorType type1, OperatorType type2, int q1=0, int q2=0) const

Eigen::SparseMatrix< Scalar, Eigen::RowMajor >	get_matrix_elements (std::shared_ptr< const Type > final, OperatorType type1, OperatorType type2, int q1=0, int q2=0) const

Eigen::SparseMatrix< Scalar, Eigen::RowMajor >	get_matrix_elements (std::shared_ptr< const BasisAtom< Scalar > > final1, std::shared_ptr< const BasisAtom< Scalar > > final2, OperatorType type1, OperatorType type2, int q1=0, int q2=0) const

Public Member Functions inherited from pairinteraction::Basis< BasisPair< Scalar > >
	Basis ()=delete

virtual	~Basis ()=default

bool	has_quantum_number_f () const

bool	has_quantum_number_m () const

bool	has_parity () const

const ketvec_t &	get_kets () const

size_t	get_number_of_states () const

size_t	get_number_of_kets () const

real_t	get_quantum_number_f (size_t state_index) const

real_t	get_quantum_number_m (size_t state_index) const

Parity	get_parity (size_t state_index) const

std::shared_ptr< const BasisPair< Scalar > >	get_state (size_t state_index) const

std::shared_ptr< const ket_t >	get_ket (size_t ket_index) const

std::shared_ptr< const ket_t >	get_corresponding_ket (size_t state_index) const

std::shared_ptr< const ket_t >	get_corresponding_ket (std::shared_ptr< const BasisPair< Scalar > > state) const

size_t	get_corresponding_ket_index (size_t state_index) const

size_t	get_corresponding_ket_index (std::shared_ptr< const BasisPair< Scalar > > state) const

std::shared_ptr< const BasisPair< Scalar > >	get_corresponding_state (size_t ket_index) const

std::shared_ptr< const BasisPair< Scalar > >	get_corresponding_state (std::shared_ptr< const ket_t > ket) const

size_t	get_corresponding_state_index (size_t ket_index) const

size_t	get_corresponding_state_index (std::shared_ptr< const ket_t > ket) const

std::shared_ptr< const BasisPair< Scalar > >	get_canonical_state_from_ket (size_t ket_index) const

std::shared_ptr< const BasisPair< Scalar > >	get_canonical_state_from_ket (std::shared_ptr< const ket_t > ket) const

const Eigen::SparseMatrix< scalar_t, Eigen::RowMajor > &	get_coefficients () const

Eigen::SparseMatrix< scalar_t, Eigen::RowMajor > &	get_coefficients ()

Eigen::VectorX< scalar_t >	get_amplitudes (std::shared_ptr< const ket_t > ket) const

Eigen::SparseMatrix< scalar_t, Eigen::RowMajor >	get_amplitudes (std::shared_ptr< const BasisPair< Scalar > > other) const

Eigen::VectorX< real_t >	get_overlaps (std::shared_ptr< const ket_t > ket) const

Eigen::SparseMatrix< real_t, Eigen::RowMajor >	get_overlaps (std::shared_ptr< const BasisPair< Scalar > > other) const

virtual Eigen::VectorX< scalar_t >	get_matrix_elements (std::shared_ptr< const ket_t > ket, OperatorType type, int q=0) const=0

virtual Eigen::SparseMatrix< scalar_t, Eigen::RowMajor >	get_matrix_elements (std::shared_ptr< const BasisPair< Scalar > > other, OperatorType type, int q=0) const=0

Iterator	begin () const

Iterator	end () const

const Transformation< scalar_t > &	get_transformation () const override

Transformation< scalar_t >	get_rotator (real_t alpha, real_t beta, real_t gamma) const override

Sorting	get_sorter (const std::vector< TransformationType > &labels) const override

std::vector< IndicesOfBlock >	get_indices_of_blocks (const std::vector< TransformationType > &labels) const override

void	perform_sorter_checks (const std::vector< TransformationType > &labels) const

void	perform_blocks_checks (const std::set< TransformationType > &unique_labels) const

void	get_sorter_without_checks (const std::vector< TransformationType > &labels, Sorting &transformation) const

void	get_indices_of_blocks_without_checks (const std::set< TransformationType > &unique_labels, IndicesOfBlocksCreator &blocks) const

std::shared_ptr< const BasisPair< Scalar > >	transformed (const Transformation< scalar_t > &transformation) const

std::shared_ptr< const BasisPair< Scalar > >	transformed (const Sorting &transformation) const

Public Member Functions inherited from pairinteraction::TransformationBuilderInterface< traits::CrtpTraits< BasisPair< Scalar > >::scalar_t >
virtual	~TransformationBuilderInterface ()=default

virtual const Transformation< traits::CrtpTraits< BasisPair< Scalar > >::scalar_t > &	get_transformation () const=0

virtual Transformation< traits::CrtpTraits< BasisPair< Scalar > >::scalar_t >	get_rotator (real_t alpha, real_t beta, real_t gamma) const=0

Transformation< traits::CrtpTraits< BasisPair< Scalar > >::scalar_t >	get_rotator (const std::array< real_t, 3 > &to_z_axis, const std::array< real_t, 3 > &to_y_axis) const

virtual Sorting	get_sorter (const std::vector< TransformationType > &labels) const=0

virtual std::vector< IndicesOfBlock >	get_indices_of_blocks (const std::vector< TransformationType > &labels) const=0

Friends
class	BasisPairCreator< Scalar >

Additional Inherited Members
Protected Member Functions inherited from pairinteraction::Basis< BasisPair< Scalar > >
	Basis (ketvec_t &&kets)

int	get_ket_index_from_ket (std::shared_ptr< const ket_t > ket) const

Protected Attributes inherited from pairinteraction::Basis< BasisPair< Scalar > >
ketvec_t	kets

Detailed Description

template<typename Scalar>
class pairinteraction::BasisPair< Scalar >

Definition at line 44 of file BasisPair.hpp.

Member Typedef Documentation

◆ ket_t

template<typename Scalar >

using pairinteraction::BasisPair< Scalar >::ket_t = typename traits::CrtpTraits<Type>::ket_t

Definition at line 54 of file BasisPair.hpp.

◆ ketvec_t

template<typename Scalar >

using pairinteraction::BasisPair< Scalar >::ketvec_t = typename traits::CrtpTraits<Type>::ketvec_t

Definition at line 55 of file BasisPair.hpp.

◆ map_indices_t

template<typename Scalar >

using pairinteraction::BasisPair< Scalar >::map_indices_t = std::unordered_map<std::vector<size_t>, size_t, utils::hash<std::vector<size_t> >>

Definition at line 59 of file BasisPair.hpp.

◆ map_range_t

template<typename Scalar >

using pairinteraction::BasisPair< Scalar >::map_range_t = std::unordered_map<size_t, range_t>

Definition at line 58 of file BasisPair.hpp.

◆ map_size_t

template<typename Scalar >

using pairinteraction::BasisPair< Scalar >::map_size_t = std::unordered_map<size_t, size_t>

Definition at line 57 of file BasisPair.hpp.

◆ range_t

template<typename Scalar >

using pairinteraction::BasisPair< Scalar >::range_t = Range<size_t>

Definition at line 56 of file BasisPair.hpp.

◆ real_t

template<typename Scalar >

using pairinteraction::BasisPair< Scalar >::real_t = typename traits::CrtpTraits<Type>::real_t

Definition at line 53 of file BasisPair.hpp.

◆ Type

template<typename Scalar >

using pairinteraction::BasisPair< Scalar >::Type = BasisPair<Scalar>

Definition at line 52 of file BasisPair.hpp.

Constructor & Destructor Documentation

◆ BasisPair()

template<typename Scalar >

pairinteraction::BasisPair< Scalar >::BasisPair	(	Private	,
		ketvec_t &&	kets,
		map_range_t &&	map_range_of_state_index2,
		map_indices_t &&	state_indices_to_ket_index,
		std::shared_ptr< const BasisAtom< Scalar > >	basis1,
		std::shared_ptr< const BasisAtom< Scalar > >	basis2
	)

Definition at line 21 of file BasisPair.cpp.

Member Function Documentation

◆ get_amplitudes() [1/2]

template<typename Scalar >

Eigen::SparseMatrix< Scalar, Eigen::RowMajor > pairinteraction::BasisPair< Scalar >::get_amplitudes	(	std::shared_ptr< const BasisAtom< Scalar > >	other1,
		std::shared_ptr< const BasisAtom< Scalar > >	other2
	)		const

Definition at line 66 of file BasisPair.cpp.

◆ get_amplitudes() [2/2]

template<typename Scalar >

Eigen::VectorX< Scalar > pairinteraction::BasisPair< Scalar >::get_amplitudes	(	std::shared_ptr< const KetAtom >	ket1,
		std::shared_ptr< const KetAtom >	ket2
	)		const

Definition at line 57 of file BasisPair.cpp.

◆ get_basis1()

template<typename Scalar >

std::shared_ptr< const BasisAtom< Scalar > > pairinteraction::BasisPair< Scalar >::get_basis1

Definition at line 38 of file BasisPair.cpp.

◆ get_basis2()

template<typename Scalar >

std::shared_ptr< const BasisAtom< Scalar > > pairinteraction::BasisPair< Scalar >::get_basis2

Definition at line 43 of file BasisPair.cpp.

◆ get_index_range()

template<typename Scalar >

const BasisPair< Scalar >::range_t & pairinteraction::BasisPair< Scalar >::get_index_range ( size_t state_index1 ) const

Definition at line 33 of file BasisPair.cpp.

◆ get_ket_index_from_tuple()

template<typename Scalar >

int pairinteraction::BasisPair< Scalar >::get_ket_index_from_tuple	(	size_t	state_index1,
		size_t	state_index2
	)		const

Definition at line 48 of file BasisPair.cpp.

◆ get_matrix_elements() [1/6]

template<typename Scalar >

Eigen::SparseMatrix< Scalar, Eigen::RowMajor > pairinteraction::BasisPair< Scalar >::get_matrix_elements	(	std::shared_ptr< const BasisAtom< Scalar > >	final1,
		std::shared_ptr< const BasisAtom< Scalar > >	final2,
		OperatorType	type1,
		OperatorType	type2,
		int	q1 = `0`,
		int	q2 = `0`
	)		const

Definition at line 189 of file BasisPair.cpp.

References pairinteraction::BasisPairCreator< Scalar >::add().

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◆ get_matrix_elements() [2/6]

template<typename Scalar >

Eigen::VectorX< Scalar > pairinteraction::BasisPair< Scalar >::get_matrix_elements	(	std::shared_ptr< const ket_t >	ket,
		OperatorType	type1,
		OperatorType	type2,
		int	q1 = `0`,
		int	q2 = `0`
	)		const

Definition at line 207 of file BasisPair.cpp.

◆ get_matrix_elements() [3/6]

template<typename Scalar >

Eigen::VectorX< Scalar > pairinteraction::BasisPair< Scalar >::get_matrix_elements	(	std::shared_ptr< const ket_t >	,
		OperatorType	,
		int
	)		const

overridevirtual

Implements pairinteraction::Basis< BasisPair< Scalar > >.

Definition at line 153 of file BasisPair.cpp.

◆ get_matrix_elements() [4/6]

template<typename Scalar >

Eigen::VectorX< Scalar > pairinteraction::BasisPair< Scalar >::get_matrix_elements	(	std::shared_ptr< const KetAtom >	ket1,
		std::shared_ptr< const KetAtom >	ket2,
		OperatorType	type1,
		OperatorType	type2,
		int	q1 = `0`,
		int	q2 = `0`
	)		const

Definition at line 218 of file BasisPair.cpp.

References pairinteraction::BasisPairCreator< Scalar >::add(), and pairinteraction::Basis< Derived >::get_canonical_state_from_ket().

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◆ get_matrix_elements() [5/6]

template<typename Scalar >

Eigen::SparseMatrix< Scalar, Eigen::RowMajor > pairinteraction::BasisPair< Scalar >::get_matrix_elements	(	std::shared_ptr< const Type >	final,
		OperatorType	type1,
		OperatorType	type2,
		int	q1 = `0`,
		int	q2 = `0`
	)		const

Definition at line 168 of file BasisPair.cpp.

References pairinteraction::utils::calculate_tensor_product().

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◆ get_matrix_elements() [6/6]

template<typename Scalar >

Eigen::SparseMatrix< Scalar, Eigen::RowMajor > pairinteraction::BasisPair< Scalar >::get_matrix_elements	(	std::shared_ptr< const Type >	,
		OperatorType	,
		int
	)		const

overridevirtual

Implements pairinteraction::Basis< BasisPair< Scalar > >.

Definition at line 161 of file BasisPair.cpp.

◆ get_overlaps() [1/2]

template<typename Scalar >

Eigen::SparseMatrix< typename BasisPair< Scalar >::real_t, Eigen::RowMajor > pairinteraction::BasisPair< Scalar >::get_overlaps	(	std::shared_ptr< const BasisAtom< Scalar > >	other1,
		std::shared_ptr< const BasisAtom< Scalar > >	other2
	)		const

Definition at line 147 of file BasisPair.cpp.

◆ get_overlaps() [2/2]

template<typename Scalar >

Eigen::VectorX< typename BasisPair< Scalar >::real_t > pairinteraction::BasisPair< Scalar >::get_overlaps	(	std::shared_ptr< const KetAtom >	ket1,
		std::shared_ptr< const KetAtom >	ket2
	)		const

Definition at line 140 of file BasisPair.cpp.

Friends And Related Function Documentation

◆ BasisPairCreator< Scalar >

template<typename Scalar >

friend class BasisPairCreator< Scalar >

friend

Definition at line 46 of file BasisPair.hpp.

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

/__w/pairinteraction/pairinteraction/src/cpp/include/pairinteraction/basis/BasisPair.hpp
/__w/pairinteraction/pairinteraction/src/cpp/src/basis/BasisPair.cpp

Public Types

Public Member Functions

Friends

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ ket_t

◆ ketvec_t

◆ map_indices_t

◆ map_range_t

◆ map_size_t

◆ range_t

◆ real_t

◆ Type

Constructor & Destructor Documentation

◆ BasisPair()

Member Function Documentation

◆ get_amplitudes() [1/2]

◆ get_amplitudes() [2/2]

◆ get_basis1()

◆ get_basis2()

◆ get_index_range()

◆ get_ket_index_from_tuple()

◆ get_matrix_elements() [1/6]

◆ get_matrix_elements() [2/6]

◆ get_matrix_elements() [3/6]

◆ get_matrix_elements() [4/6]

◆ get_matrix_elements() [5/6]

◆ get_matrix_elements() [6/6]

◆ get_overlaps() [1/2]

◆ get_overlaps() [2/2]

Friends And Related Function Documentation

◆ BasisPairCreator< Scalar >