Representation of a physical lattice, with symmetry information on two-point correlators. More...

#include <Lattice.hpp>

Collaboration diagram for Lattice:

Public Member Functions
	~Lattice ()
	Destroy the Lattice object.

LatticeIterator	begin () const
	Retrieve iterator to first lattice site. More...

LatticeIterator	zero () const
	Retrieve iterator to the lattice site i1=(0,0,0,0). More...

LatticeIterator	end () const
	Retrieve iterator to the last+1 lattice site. More...

LatticeIterator	fromParametrization (const int rid) const
	Retrieve iterator to the specified representative. More...

std::tuple< int, int, int, int >	getSiteParameters (const LatticeIterator &site) const
	Get the coordinates of a specified lattice site, in units of a1, a2, a3, and b. More...

geometry::Vec3< double >	getSitePosition (const LatticeIterator &site) const
	Get the position of a lattice site in real space. More...

int	symmetryTransform (const LatticeIterator &i1, const LatticeIterator &i2) const
	Transform a pair of lattice sites (i1,i2) and transform it to (0,i2'). The transformation may involve a permutation of spin components, whose action will be ignored. More...

int	symmetryTransform (const LatticeIterator &i1, const LatticeIterator &i2, SpinComponent &spinComponent) const
	Transform a pair of lattice sites (i1,i2) and transform it to (0,i2'). The transformation may involve a permutation of spin components, in which case the transformation is applied to the spinComponent argument. More...

int	symmetryTransform (const LatticeIterator &i1, const LatticeIterator &i2, SpinComponent &spinComponent1, SpinComponent &spinComponent2) const
	Transform a pair of lattice sites (i1,i2) and transform it to (0,i2'). The transformation may involve a permutation of spin components, in which case the transformation is applied to the spinComponent1 and spinComponent2 arguments. More...

int	symmetryTransform (const LatticeIterator &i1, const LatticeIterator &i2, SpinComponent &spinComponent1, SpinComponent &spinComponent2, SpinComponent &spinComponent3) const
	Transform a pair of lattice sites (i1,i2) and transform it to (0,i2'). The transformation may involve a permutation of spin components, in which case the transformation is applied to the spinComponent1, spinComponent2, and spinComponent3 arguments. More...

const LatticeOverlap &	getOverlap (const int rid) const
	Retrieve the lattice overlap of the reference site i1=(0,0,0,0) with some other representative lattice site. The overlap is defined as all lattice sites which are within range of both lattice site. More...

const LatticeSiteDescriptor *	getInvertedSites () const
	List of two-spin correlators (i2,i1), where i1=(0,0,0,0) is the reference site and the list includes all reference sites i2. More...

const LatticeSiteDescriptor *	getSites () const
	List of two-spin correlators (i1,i2), where i1=(0,0,0,0) is the reference site and the list includes all reference sites i2. More...

SublatticeIterator	getRange (const LatticeIterator &b) const
	Retrieve an iterator over all sites which are within range of the lattice site b, where b must describe one of the basis sites. More...

SublatticeIterator	getRange (const int b) const
	Retrieve an iterator over all sites which are within range of the lattice site (0,0,0,b). More...

SublatticeIterator	getBasis () const
	Retrieve iterator over all basis sites. More...

Public Attributes
std::vector< geometry::Vec3< double > >	_bravaisLattice
	List of the three bravais lattice vectors.

std::vector< geometry::Vec3< double > >	_basis
	List of the positions of all basis sites within a lattice unit cell.

int	size
	Number representative sites.

Protected Member Functions
	Lattice ()
	Create an uninitialized lattice object. More...

Protected Attributes
std::vector< std::tuple< int, int, int, int > >	_geometryTable
	Internal storage of real space lattice site positions, stored as tuples (a0, a1, a2, b).

int	_dataSize
	Total number of all lattice that we store information about (equivalent to size of Lattice::_geometryTable).

LatticeSiteDescriptor *	_symmetryTable
	List of symmetry reductions of spin pairs (id1, id2) linearized as id1*_dataSize+id2. Stores the transformation required to map id1 to zero.

LatticeSiteDescriptor *	_bufferSites
	List of transformed sites (0, rid), for all representatives rid.

LatticeSiteDescriptor *	_bufferInvertedSites
	List of transformed sites (rid, 0), for all representatives rid.

LatticeOverlap *	_bufferOverlapMatrices
	List of lattice overlaps, where the i-th entry is the overlap of the two tuples (0,j)(j,i).

int *	_bufferBasis
	List of representative ids of all basis sites.

int **	_bufferLatticeRange
	Table of lists of all site ids in range of site (0,0,0,b).

Friends
std::pair< Lattice , SpinModel >	LatticeModelFactory::newLatticeModel (const LatticeModelFactory::LatticeUnitCell &uc, const LatticeModelFactory::SpinModelUnitCell &spinModelDefinition, const int latticeRange, const std::string &ldfPath)

Detailed Description

Representation of a physical lattice, with symmetry information on two-point correlators.

The lattice representation exploits symmetries. A given lattice contains a finite number of sites, which depends on the selected lattice range parameter. The lattice would store all sites within the specified range (distance measured in units of lattice bonds) around any of the basis sites.

Using lattice symmetries, out of any pair of lattice sites (any two-point correlator), one site can always be mapped to a fixed reference si te at the origin. The second lattice site, under this mapping, would then be mapped to some other site. Therefore, the two-point correlators after symmetry reduction only depend on a single lattice site. The minimum set up these sites, which is required to represent any two-point correlator, is enumerated by the so-called representative id, ranging from zero to some finite value which depends on the lattice geometry.

The lattice representation provides methods to quickly iterate over the lattice, iterate over certain sublattice regions, or to map any two-point correlator to the corresponding representative site.

Constructor & Destructor Documentation

◆ Lattice()

Lattice::Lattice ( )

inlineprotected

Create an uninitialized lattice object.

Constructor should not be called directly. Use LatticeModelFactory::newLatticeModel() to create a new lattice.

Member Function Documentation

◆ begin()

LatticeIterator Lattice::begin ( ) const

inline

Retrieve iterator to first lattice site.

Returns: LatticeIterator Iterator to first lattice site.

◆ end()

LatticeIterator Lattice::end ( ) const

inline

Retrieve iterator to the last+1 lattice site.

Returns: LatticeIterator Iterator to the last+1 lattice site.

◆ fromParametrization()

LatticeIterator Lattice::fromParametrization ( const int rid ) const

inline

Retrieve iterator to the specified representative.

Parameters

rid	Representative id of the desired lattice site.

Returns: LatticeIterator Iterator to the specified representative site.

◆ getBasis()

SublatticeIterator Lattice::getBasis ( ) const

inline

Retrieve iterator over all basis sites.

Returns: SublatticeIterator Iterator over all basis sites.

◆ getInvertedSites()

const LatticeSiteDescriptor* Lattice::getInvertedSites ( ) const

inline

List of two-spin correlators (i2,i1), where i1=(0,0,0,0) is the reference site and the list includes all reference sites i2.

Returns: const LatticeSiteDescriptor* List of symmetry-reduced two-spin correlators (i1,i2).

◆ getOverlap()

const LatticeOverlap& Lattice::getOverlap ( const int rid ) const

inline

Retrieve the lattice overlap of the reference site i1=(0,0,0,0) with some other representative lattice site. The overlap is defined as all lattice sites which are within range of both lattice site.

Parameters

rid	Representative lattice site to determine overlap with i1.

Returns: const LatticeOverlap& Lattice overlap descriptor.

◆ getRange() [1/2]

SublatticeIterator Lattice::getRange ( const int b ) const

inline

Retrieve an iterator over all sites which are within range of the lattice site (0,0,0,b).

Parameters

b	Basis site index.

Returns: SublatticeIterator Iterator over all sites in range.

◆ getRange() [2/2]

SublatticeIterator Lattice::getRange ( const LatticeIterator & b ) const

inline

Retrieve an iterator over all sites which are within range of the lattice site b, where b must describe one of the basis sites.

See also: Lattice::getBasis()

Parameters

b	Iterator to a basis site.

Returns: SublatticeIterator Iterator over all sites in range.

◆ getSiteParameters()

std::tuple<int, int, int, int> Lattice::getSiteParameters ( const LatticeIterator & site ) const

inline

Get the coordinates of a specified lattice site, in units of a1, a2, a3, and b.

Parameters

site	Input lattice site.

Returns: std::tuple<int, int, int, int> Tuple (n1,n2,n3,nb) which describes the lattice site at coordinate n1*a1+n2*a2+n3*a3+b[nb].

◆ getSitePosition()

geometry::Vec3<double> Lattice::getSitePosition ( const LatticeIterator & site ) const

inline

Get the position of a lattice site in real space.

Parameters

site	Input lattice site.

Returns: geometry::Vec3<double> Position of the lattice site in real space.

◆ getSites()

const LatticeSiteDescriptor* Lattice::getSites ( ) const

inline

List of two-spin correlators (i1,i2), where i1=(0,0,0,0) is the reference site and the list includes all reference sites i2.

Returns: const LatticeSiteDescriptor* List of symmetry-reduced two-spin correlators (i1,i2).

◆ symmetryTransform() [1/4]

int Lattice::symmetryTransform	(	const LatticeIterator &	i1,
		const LatticeIterator &	i2
	)		const

inline

Transform a pair of lattice sites (i1,i2) and transform it to (0,i2'). The transformation may involve a permutation of spin components, whose action will be ignored.

Parameters

i1	Input lattice site.
i2	Input lattice site.

Returns: int Representative id of i2'.

◆ symmetryTransform() [2/4]

int Lattice::symmetryTransform	(	const LatticeIterator &	i1,
		const LatticeIterator &	i2,
		SpinComponent &	spinComponent
	)		const

inline

Transform a pair of lattice sites (i1,i2) and transform it to (0,i2'). The transformation may involve a permutation of spin components, in which case the transformation is applied to the spinComponent argument.

Parameters

[in]	i1	Input lattice site.
[in]	i2	Input lattice site.
[out]	spinComponent	Spin component to transform under the mapping.

Returns: int Representative id of i2'.

◆ symmetryTransform() [3/4]

int Lattice::symmetryTransform	(	const LatticeIterator &	i1,
		const LatticeIterator &	i2,
		SpinComponent &	spinComponent1,
		SpinComponent &	spinComponent2
	)		const

inline

Transform a pair of lattice sites (i1,i2) and transform it to (0,i2'). The transformation may involve a permutation of spin components, in which case the transformation is applied to the spinComponent1 and spinComponent2 arguments.

Parameters

[in]	i1	Input lattice site.
[in]	i2	Input lattice site.
[out]	spinComponent1	Spin component to transform under the mapping.
[out]	spinComponent2	Spin component to transform under the mapping.

Returns: int Representative id of i2'.

◆ symmetryTransform() [4/4]

int Lattice::symmetryTransform	(	const LatticeIterator &	i1,
		const LatticeIterator &	i2,
		SpinComponent &	spinComponent1,
		SpinComponent &	spinComponent2,
		SpinComponent &	spinComponent3
	)		const

inline

Transform a pair of lattice sites (i1,i2) and transform it to (0,i2'). The transformation may involve a permutation of spin components, in which case the transformation is applied to the spinComponent1, spinComponent2, and spinComponent3 arguments.

Parameters

[in]	i1	Input lattice site.
[in]	i2	Input lattice site.
[out]	spinComponent1	Spin component to transform under the mapping.
[out]	spinComponent2	Spin component to transform under the mapping.
[out]	spinComponent3	Spin component to transform under the mapping.

Returns: int Representative id of i2'.

◆ zero()

LatticeIterator Lattice::zero ( ) const

inline

Retrieve iterator to the lattice site i1=(0,0,0,0).

Returns: LatticeIterator Iterator to the lattice site i1=(0,0,0,0).

The documentation for this struct was generated from the following file:

/home/runner/work/SpinParser/SpinParser/src/Lattice.hpp

Public Member Functions

Public Attributes

Protected Member Functions

Protected Attributes

Friends

Detailed Description

Constructor & Destructor Documentation

◆ Lattice()

Member Function Documentation

◆ begin()

◆ end()

◆ fromParametrization()

◆ getBasis()

◆ getInvertedSites()

◆ getOverlap()

◆ getRange() [1/2]

◆ getRange() [2/2]

◆ getSiteParameters()

◆ getSitePosition()

◆ getSites()

◆ symmetryTransform() [1/4]

◆ symmetryTransform() [2/4]

◆ symmetryTransform() [3/4]

◆ symmetryTransform() [4/4]

◆ zero()