sisl.geom.AtomNeighborList

class sisl.geom.AtomNeighborList(geometry, finder_results, atom: int)

Bases: Neighbors

List of atoms that are close to a given atom.

The usual way to get an AtomNeighborList object is by iterating over a FullNeighborList or a PartialNeighborList. See their documentation for examples.

See also

FullNeighborList, PartialNeighborList

Methods

i

For each neighbor pair (i, j), the first index.

isc

For each neighbor pair (i, j), the supercell indices of j.

j

For each neighbor pair (i, j), the second index.

min_nsc

The minimum nsc for an auxiliary supercell to contain all neighbors in this object.

n_neighbors

Number of neighbors of the atom.

split_indices

Indices to split the interactions of each atom.
Parameters:

atom (int)

__init__(geometry, finder_results, atom: int)[source]
Parameters:

atom (int)

atom: int
property i: ndarray

For each neighbor pair (i, j), the first index.

property isc: ndarray

For each neighbor pair (i, j), the supercell indices of j.

property j: ndarray

For each neighbor pair (i, j), the second index.

property min_nsc: ndarray

The minimum nsc for an auxiliary supercell to contain all neighbors in this object.

property n_neighbors: int

Number of neighbors of the atom.

property split_indices: ndarray

Indices to split the interactions of each atom.