Base class for a basis. More...

#include <Basis.hpp>

Inheritance diagram for pairinteraction::Basis< Derived >:

Collaboration diagram for pairinteraction::Basis< Derived >:

Data Structures
class	Iterator

Public Types
using	scalar_t = typename traits::CrtpTraits< Derived >::scalar_t

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

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

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

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

Public Member Functions
	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 Derived >	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 Derived > state) const

size_t	get_corresponding_ket_index (size_t state_index) const

size_t	get_corresponding_ket_index (std::shared_ptr< const Derived > state) const

std::shared_ptr< const Derived >	get_corresponding_state (size_t ket_index) const

std::shared_ptr< const Derived >	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 Derived >	get_canonical_state_from_ket (size_t ket_index) const

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

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

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

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

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

Transformation< traits::CrtpTraits< Derived >::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

Protected Member Functions
	Basis (ketvec_t &&kets)

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

Protected Attributes
ketvec_t	kets

Detailed Description

template<typename Derived>
class pairinteraction::Basis< Derived >

Base class for a basis.

This base class represents a basis. It comprises a list of ket states and a matrix of coefficients. The rows of the coefficient matrix correspond to indices of ket states and the columns to indices of basis vectors. Using CRPT, it is a base class for specific basis implementations. Its constructor is protected to indicate that derived classes should not allow direct instantiation. Instead, a factory class should be provided that is a friend of the derived class and can create instances of it.

Template Parameters

Derived Derived class.

Definition at line 40 of file Basis.hpp.

Member Typedef Documentation

◆ ket_t

template<typename Derived >

using pairinteraction::Basis< Derived >::ket_t = typename traits::CrtpTraits<Derived>::ket_t

Definition at line 45 of file Basis.hpp.

◆ ketvec_t

template<typename Derived >

using pairinteraction::Basis< Derived >::ketvec_t = typename traits::CrtpTraits<Derived>::ketvec_t

Definition at line 46 of file Basis.hpp.

◆ real_t

template<typename Derived >

using pairinteraction::Basis< Derived >::real_t = typename traits::CrtpTraits<Derived>::real_t

Definition at line 44 of file Basis.hpp.

◆ scalar_t

template<typename Derived >

using pairinteraction::Basis< Derived >::scalar_t = typename traits::CrtpTraits<Derived>::scalar_t

Definition at line 43 of file Basis.hpp.

Constructor & Destructor Documentation

◆ Basis() [1/2]

template<typename Derived >

pairinteraction::Basis< Derived >::Basis ( )

delete

◆ ~Basis()

template<typename Derived >

virtual pairinteraction::Basis< Derived >::~Basis ( )

virtualdefault

◆ Basis() [2/2]

template<typename Derived >

pairinteraction::Basis< Derived >::Basis ( ketvec_t && kets )

protected

Definition at line 59 of file Basis.cpp.

Member Function Documentation

◆ begin()

template<typename Derived >

Basis< Derived >::Iterator pairinteraction::Basis< Derived >::begin

Definition at line 335 of file Basis.cpp.

References pairinteraction::Basis< Derived >::begin().

Referenced by pairinteraction::Basis< Derived >::begin().

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◆ end()

template<typename Derived >

Basis< Derived >::Iterator pairinteraction::Basis< Derived >::end

Definition at line 340 of file Basis.cpp.

References pairinteraction::Basis< Derived >::end().

Referenced by pairinteraction::Basis< Derived >::end().

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◆ get_amplitudes() [1/2]

template<typename Derived >

Eigen::SparseMatrix< typename Basis< Derived >::scalar_t, Eigen::RowMajor > pairinteraction::Basis< Derived >::get_amplitudes ( std::shared_ptr< const Derived > other ) const

Definition at line 152 of file Basis.cpp.

References pairinteraction::Transformation< Scalar >::matrix.

◆ get_amplitudes() [2/2]

template<typename Derived >

Eigen::VectorX< typename Basis< Derived >::scalar_t > pairinteraction::Basis< Derived >::get_amplitudes ( std::shared_ptr< const ket_t > ket ) const

Definition at line 140 of file Basis.cpp.

◆ get_canonical_state_from_ket() [1/2]

template<typename Derived >

std::shared_ptr< const Derived > pairinteraction::Basis< Derived >::get_canonical_state_from_ket ( size_t ket_index ) const

Definition at line 296 of file Basis.cpp.

Referenced by pairinteraction::BasisPair< Scalar >::get_matrix_elements().

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◆ get_canonical_state_from_ket() [2/2]

template<typename Derived >

std::shared_ptr< const Derived > pairinteraction::Basis< Derived >::get_canonical_state_from_ket ( std::shared_ptr< const ket_t > ket ) const

Definition at line 326 of file Basis.cpp.

◆ get_coefficients() [1/2]

template<typename Derived >

Eigen::SparseMatrix< typename Basis< Derived >::scalar_t, Eigen::RowMajor > & pairinteraction::Basis< Derived >::get_coefficients

Definition at line 126 of file Basis.cpp.

◆ get_coefficients() [2/2]

template<typename Derived >

const Eigen::SparseMatrix< typename Basis< Derived >::scalar_t, Eigen::RowMajor > & pairinteraction::Basis< Derived >::get_coefficients

Definition at line 120 of file Basis.cpp.

◆ get_corresponding_ket() [1/2]

template<typename Derived >

std::shared_ptr< const typename Basis< Derived >::ket_t > pairinteraction::Basis< Derived >::get_corresponding_ket ( size_t state_index ) const

Definition at line 197 of file Basis.cpp.

◆ get_corresponding_ket() [2/2]

template<typename Derived >

std::shared_ptr< const typename Basis< Derived >::ket_t > pairinteraction::Basis< Derived >::get_corresponding_ket ( std::shared_ptr< const Derived > state ) const

Definition at line 207 of file Basis.cpp.

◆ get_corresponding_ket_index() [1/2]

template<typename Derived >

size_t pairinteraction::Basis< Derived >::get_corresponding_ket_index ( size_t state_index ) const

Definition at line 281 of file Basis.cpp.

◆ get_corresponding_ket_index() [2/2]

template<typename Derived >

size_t pairinteraction::Basis< Derived >::get_corresponding_ket_index ( std::shared_ptr< const Derived > state ) const

Definition at line 290 of file Basis.cpp.

◆ get_corresponding_state() [1/2]

template<typename Derived >

std::shared_ptr< const Derived > pairinteraction::Basis< Derived >::get_corresponding_state ( size_t ket_index ) const

Definition at line 244 of file Basis.cpp.

◆ get_corresponding_state() [2/2]

template<typename Derived >

std::shared_ptr< const Derived > pairinteraction::Basis< Derived >::get_corresponding_state ( std::shared_ptr< const ket_t > ket ) const

Definition at line 254 of file Basis.cpp.

◆ get_corresponding_state_index() [1/2]

template<typename Derived >

size_t pairinteraction::Basis< Derived >::get_corresponding_state_index ( size_t ket_index ) const

Definition at line 263 of file Basis.cpp.

◆ get_corresponding_state_index() [2/2]

template<typename Derived >

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

Definition at line 272 of file Basis.cpp.

◆ get_indices_of_blocks()

template<typename Derived >

std::vector< IndicesOfBlock > pairinteraction::Basis< Derived >::get_indices_of_blocks ( const std::vector< TransformationType > & labels ) const

overridevirtual

Implements pairinteraction::TransformationBuilderInterface< traits::CrtpTraits< Derived >::scalar_t >.

Definition at line 440 of file Basis.cpp.

References pairinteraction::Basis< Derived >::get_indices_of_blocks_without_checks(), pairinteraction::Transformation< Scalar >::matrix, pairinteraction::Basis< Derived >::perform_blocks_checks(), and pairinteraction::Basis< Derived >::perform_sorter_checks().

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◆ get_indices_of_blocks_without_checks()

template<typename Derived >

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

Definition at line 535 of file Basis.cpp.

References pairinteraction::IndicesOfBlocksCreator::add(), pairinteraction::Transformation< Scalar >::matrix, pairinteraction::SORT_BY_KET, pairinteraction::SORT_BY_PARITY, pairinteraction::SORT_BY_QUANTUM_NUMBER_F, and pairinteraction::SORT_BY_QUANTUM_NUMBER_M.

Referenced by pairinteraction::Basis< Derived >::get_indices_of_blocks().

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◆ get_ket()

template<typename Derived >

std::shared_ptr< const typename Basis< Derived >::ket_t > pairinteraction::Basis< Derived >::get_ket ( size_t ket_index ) const

Definition at line 239 of file Basis.cpp.

◆ get_ket_index_from_ket()

template<typename Derived >

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

protected

Definition at line 131 of file Basis.cpp.

Referenced by pairinteraction::Basis< Derived >::get_rotator().

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◆ get_kets()

template<typename Derived >

const Basis< Derived >::ketvec_t & pairinteraction::Basis< Derived >::get_kets

Definition at line 114 of file Basis.cpp.

◆ get_matrix_elements() [1/2]

template<typename Derived >

virtual Eigen::SparseMatrix< scalar_t, Eigen::RowMajor > pairinteraction::Basis< Derived >::get_matrix_elements	(	std::shared_ptr< const Derived >	other,
		OperatorType	type,
		int	q = `0`
	)		const

pure virtual

Implemented in pairinteraction::BasisAtom< Scalar >, and pairinteraction::BasisPair< Scalar >.

◆ get_matrix_elements() [2/2]

template<typename Derived >

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

pure virtual

Implemented in pairinteraction::BasisAtom< Scalar >, and pairinteraction::BasisPair< Scalar >.

◆ get_number_of_kets()

template<typename Derived >

size_t pairinteraction::Basis< Derived >::get_number_of_kets

Definition at line 369 of file Basis.cpp.

References pairinteraction::Transformation< Scalar >::matrix.

◆ get_number_of_states()

template<typename Derived >

size_t pairinteraction::Basis< Derived >::get_number_of_states

Definition at line 364 of file Basis.cpp.

References pairinteraction::Transformation< Scalar >::matrix.

◆ get_overlaps() [1/2]

template<typename Derived >

Eigen::SparseMatrix< typename Basis< Derived >::real_t, Eigen::RowMajor > pairinteraction::Basis< Derived >::get_overlaps ( std::shared_ptr< const Derived > other ) const

Definition at line 164 of file Basis.cpp.

◆ get_overlaps() [2/2]

template<typename Derived >

Eigen::VectorX< typename Basis< Derived >::real_t > pairinteraction::Basis< Derived >::get_overlaps ( std::shared_ptr< const ket_t > ket ) const

Definition at line 158 of file Basis.cpp.

◆ get_parity()

template<typename Derived >

Parity pairinteraction::Basis< Derived >::get_parity ( size_t state_index ) const

Definition at line 187 of file Basis.cpp.

◆ get_quantum_number_f()

template<typename Derived >

Basis< Derived >::real_t pairinteraction::Basis< Derived >::get_quantum_number_f ( size_t state_index ) const

Definition at line 169 of file Basis.cpp.

◆ get_quantum_number_m()

template<typename Derived >

Basis< Derived >::real_t pairinteraction::Basis< Derived >::get_quantum_number_m ( size_t state_index ) const

Definition at line 178 of file Basis.cpp.

◆ get_rotator()

template<typename Derived >

Transformation< typename Basis< Derived >::scalar_t > pairinteraction::Basis< Derived >::get_rotator	(	real_t	alpha,
		real_t	beta,
		real_t	gamma
	)		const

override

Definition at line 381 of file Basis.cpp.

References pairinteraction::Basis< Derived >::get_ket_index_from_ket(), pairinteraction::Basis< Derived >::kets, pairinteraction::Transformation< Scalar >::matrix, and pairinteraction::ROTATE.

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◆ get_sorter()

template<typename Derived >

Sorting pairinteraction::Basis< Derived >::get_sorter ( const std::vector< TransformationType > & labels ) const

overridevirtual

Implements pairinteraction::TransformationBuilderInterface< traits::CrtpTraits< Derived >::scalar_t >.

Definition at line 412 of file Basis.cpp.

References pairinteraction::Basis< Derived >::get_sorter_without_checks(), pairinteraction::Transformation< Scalar >::matrix, pairinteraction::Sorting::matrix, pairinteraction::Basis< Derived >::perform_sorter_checks(), pairinteraction::SORT_BY_ENERGY, and pairinteraction::Sorting::transformation_type.

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◆ get_sorter_without_checks()

template<typename Derived >

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

Definition at line 454 of file Basis.cpp.

References pairinteraction::Transformation< Scalar >::matrix, pairinteraction::Sorting::matrix, pairinteraction::SORT_BY_KET, pairinteraction::SORT_BY_PARITY, pairinteraction::SORT_BY_QUANTUM_NUMBER_F, pairinteraction::SORT_BY_QUANTUM_NUMBER_M, pairinteraction::Sorting::transformation_type, and pairinteraction::UNKNOWN.

Referenced by pairinteraction::Basis< Derived >::get_sorter().

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◆ get_state()

template<typename Derived >

std::shared_ptr< const Derived > pairinteraction::Basis< Derived >::get_state ( size_t state_index ) const

Definition at line 212 of file Basis.cpp.

◆ get_transformation()

template<typename Derived >

const Transformation< typename Basis< Derived >::scalar_t > & pairinteraction::Basis< Derived >::get_transformation

overridevirtual

Implements pairinteraction::TransformationBuilderInterface< traits::CrtpTraits< Derived >::scalar_t >.

Definition at line 375 of file Basis.cpp.

◆ has_parity()

template<typename Derived >

bool pairinteraction::Basis< Derived >::has_parity

Definition at line 104 of file Basis.cpp.

◆ has_quantum_number_f()

template<typename Derived >

bool pairinteraction::Basis< Derived >::has_quantum_number_f

Definition at line 94 of file Basis.cpp.

◆ has_quantum_number_m()

template<typename Derived >

bool pairinteraction::Basis< Derived >::has_quantum_number_m

Definition at line 99 of file Basis.cpp.

◆ perform_blocks_checks()

template<typename Derived >

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

Definition at line 36 of file Basis.cpp.

References pairinteraction::utils::is_sorting().

Referenced by pairinteraction::Basis< Derived >::get_indices_of_blocks().

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◆ perform_sorter_checks()

template<typename Derived >

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

Definition at line 26 of file Basis.cpp.

References pairinteraction::utils::is_sorting().

Referenced by pairinteraction::Basis< Derived >::get_indices_of_blocks(), and pairinteraction::Basis< Derived >::get_sorter().

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◆ transformed() [1/2]

template<typename Derived >

std::shared_ptr< const Derived > pairinteraction::Basis< Derived >::transformed ( const Sorting & transformation ) const

Definition at line 579 of file Basis.cpp.

References pairinteraction::Transformation< Scalar >::matrix, pairinteraction::Sorting::matrix, pairinteraction::Sorting::transformation_type, and pairinteraction::Basis< Derived >::transformed().

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◆ transformed() [2/2]

template<typename Derived >

std::shared_ptr< const Derived > pairinteraction::Basis< Derived >::transformed ( const Transformation< scalar_t > & transformation ) const

Definition at line 614 of file Basis.cpp.

References pairinteraction::utils::is_sorting(), pairinteraction::Transformation< Scalar >::matrix, pairinteraction::ROTATE, pairinteraction::Transformation< Scalar >::transformation_type, pairinteraction::Basis< Derived >::transformed(), and pairinteraction::UNKNOWN.

Referenced by pairinteraction::Basis< Derived >::transformed().

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Field Documentation

◆ kets

template<typename Derived >

ketvec_t pairinteraction::Basis< Derived >::kets

protected

Definition at line 121 of file Basis.hpp.

Referenced by pairinteraction::Basis< Derived >::get_rotator().

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

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

Data Structures

Public Types

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Member Typedef Documentation

◆ ket_t

◆ ketvec_t

◆ real_t

◆ scalar_t

Constructor & Destructor Documentation

◆ Basis() [1/2]

◆ ~Basis()

◆ Basis() [2/2]

Member Function Documentation

◆ begin()

◆ end()

◆ get_amplitudes() [1/2]

◆ get_amplitudes() [2/2]

◆ get_canonical_state_from_ket() [1/2]

◆ get_canonical_state_from_ket() [2/2]

◆ get_coefficients() [1/2]

◆ get_coefficients() [2/2]

◆ get_corresponding_ket() [1/2]

◆ get_corresponding_ket() [2/2]

◆ get_corresponding_ket_index() [1/2]

◆ get_corresponding_ket_index() [2/2]

◆ get_corresponding_state() [1/2]

◆ get_corresponding_state() [2/2]

◆ get_corresponding_state_index() [1/2]

◆ get_corresponding_state_index() [2/2]

◆ get_indices_of_blocks()

◆ get_indices_of_blocks_without_checks()

◆ get_ket()

◆ get_ket_index_from_ket()

◆ get_kets()

◆ get_matrix_elements() [1/2]

◆ get_matrix_elements() [2/2]

◆ get_number_of_kets()

◆ get_number_of_states()

◆ get_overlaps() [1/2]

◆ get_overlaps() [2/2]

◆ get_parity()

◆ get_quantum_number_f()

◆ get_quantum_number_m()

◆ get_rotator()

◆ get_sorter()

◆ get_sorter_without_checks()

◆ get_state()

◆ get_transformation()

◆ has_parity()

◆ has_quantum_number_f()

◆ has_quantum_number_m()

◆ perform_blocks_checks()

◆ perform_sorter_checks()

◆ transformed() [1/2]

◆ transformed() [2/2]

Field Documentation

◆ kets