triqs::experimental::lattice::superlattice

#include <triqs/experimental/lattice/superlattice.hpp>

Detailed Description

Representation of a superlattice built on top of an underlying Bravais lattice.

A superlattice is defined by its unit vectors, expressed in the coordinates of the underlying lattice, and a set of cluster points that enumerate the underlying-lattice sites contained in one superlattice unit cell. It stores the transformation matrix from lattice to superlattice coordinates and is used to fold lattice functions onto the superlattice.

Definition at line 26 of file superlattice.hpp.

Public Member Functions
	superlattice (nda::array< long, 2 > sl_units, nda::array< long, 2 > cluster_pts)
	Construct a superlattice from its unit vectors and cluster points.
long	dim () const
	Get the dimension of the superlattice.
auto const &	get_cluster_pts () const
	Get the cluster points of the superlattice.
auto const &	get_sl_units () const
	Get the unit vectors of the superlattice.
std::optional< nda::vector< long > >	L_to_SL (nda::vector< long > const &r_l, double epsilon=1.e-12) const
	Transform a point from lattice coordinates to superlattice coordinates.
long	n_cluster_sites () const
	Get the number of cluster sites in one superlattice unit cell.

Constructor & Destructor Documentation

superlattice()

triqs::experimental::lattice::superlattice::superlattice	(	nda::array< long, 2 >	sl_units,
		nda::array< long, 2 >	cluster_pts )

Construct a superlattice from its unit vectors and cluster points.

Parameters

sl_units	Unit vectors of the superlattice of shape (2, 2) or (3, 3), where sl_units[a, :] is the \( a \)-th unit vector in the coordinates of the underlying lattice.
cluster_pts	Cluster points, i.e. the underlying-lattice sites of one superlattice unit cell, given in lattice coordinates.

Definition at line 20 of file superlattice.cpp.

Member Function Documentation

dim()

long triqs::experimental::lattice::superlattice::dim ( ) const

inline

Get the dimension of the superlattice.

Returns

Dimension of the superlattice, either 2 or 3.

Definition at line 64 of file superlattice.hpp.

get_cluster_pts()

auto const & triqs::experimental::lattice::superlattice::get_cluster_pts ( ) const

inline

Get the cluster points of the superlattice.

Returns

Const reference to the set of cluster points in lattice coordinates.

Definition at line 57 of file superlattice.hpp.

get_sl_units()

auto const & triqs::experimental::lattice::superlattice::get_sl_units ( ) const

inline

Get the unit vectors of the superlattice.

Returns

Const reference to the matrix of superlattice unit vectors, where row \( a \) is the \( a \)-th unit vector in lattice coordinates.

Definition at line 50 of file superlattice.hpp.

L_to_SL()

std::optional< nda::vector< long > > triqs::experimental::lattice::superlattice::L_to_SL	(	nda::vector< long > const &	r_l,
		double	epsilon = 1.e-12 ) const

Transform a point from lattice coordinates to superlattice coordinates.

Parameters

r_l	Point in lattice coordinates.
epsilon	Tolerance used to decide whether the transformed point lies on the superlattice.

Returns

Point in superlattice coordinates if r_l lies on the superlattice, otherwise an empty optional.

Definition at line 34 of file superlattice.cpp.

n_cluster_sites()

long triqs::experimental::lattice::superlattice::n_cluster_sites ( ) const

inline

Get the number of cluster sites in one superlattice unit cell.

Returns

Number of cluster sites.

Definition at line 71 of file superlattice.hpp.

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

• triqs/experimental/lattice/superlattice.hpp
• triqs/experimental/lattice/superlattice.cpp