Lattice

A generic lattice built translating a unit cell and adding edges between nearest neighbours sites. The unit cell is defined by the basis_vectors and it can contain an arbitrary number of atoms. Each atom is located at an arbitrary position and is labelled by an integer number, meant to distinguish between the different atoms within the unit cell. Periodic boundary conditions can also be imposed along the desired directions. There are three different ways to refer to the lattice sites. A site can be labelled by a simple integer number (the site index), by its coordinates (actual position in space), or by a set of integers (the site vector), which indicates how many translations of each basis vectors have been performed while building the graph. The i-th component refers to translations along the i-th basis_vector direction.

Class Constructor

Constructs a new Lattice given its side length and the features of the unit cell.

Argument Type Description
basis_vectors List[List[float]] The basis vectors of the unit cell.
extent List[int] The number of copies of the unit cell.
pbc List[bool]=[] If True then the constructed lattice will have periodic boundary conditions, otherwise open boundary conditions are imposed (default=True).
atoms_coord List[List[float]]=[] The coordinates of different atoms in the unit cell (default=one atom at the origin).

Examples

Constructs a rectangular 3X4 lattice with periodic boundary conditions.

>>> from netket.graph import Lattice
>>> g=Lattice(basis_vectors=[[1,0],[0,1]],extent=[3,4])
>>> print(g.n_sites)
12

Class Methods

atom_label

Member function returning the atom label indicating which of the unit cell atoms is located at a given a site index.

Argument Type Description
site int The site index.

site_to_coord

Member function returning the coordinates of a given site index.

Argument Type Description
site int The site index.

site_to_vector

Member function returning the site vector corresponding to a given site index.

Argument Type Description
site int The site index.

Examples

Constructs a square 2X2 lattice without periodic boundary conditions and prints the site vectors corresponding to given site indices.

 >>> from netket.graph import Lattice
 >>> g=Lattice(basis_vectors=[[1.,0.],[0.,1.]], extent=[2,2], pbc=[0,0])
 >>> print(list(map(int,g.site_to_vector(0))))
 [0, 0]
 >>> print(list(map(int,g.site_to_vector(1))))
 [0, 1]
 >>> print(list(map(int,g.site_to_vector(2))))
 [1, 0]
 >>> print(list(map(int,g.site_to_vector(3))))
 [1, 1]

vector_to_coord

Member function returning the coordinates of a given atom characterized by a given site vector.

Argument Type Description
site_vector List[int] The site vector.
atom_label int Which of the atoms in the unit cell.

vector_to_site

Member function returning the site index corresponding to a given site vector.

Argument Type Description
site_vector List[int] The site vector.

Properties

Property Type Description
adjacency_list list The adjacency list of the graph where each node is represented by an integer in [0, n_sites).
automorphisms list[list] The automorphisms of the graph, including translation symmetries only.
basis_vectors list[list] The basis vectors of the lattice.
coordinates list[list] The coordinates of the atoms in the lattice.
distances list[list] The distances between the nodes. The fact that some node may not be reachable from another is represented by -1.
edges list The graph edges.
is_bipartite bool Whether the graph is bipartite.
is_connected bool Whether the graph is connected.
n_dim int The dimension of the lattice.
n_sites int The number of vertices in the graph.