sisl.geom.PointNeighborList

class sisl.geom.PointNeighborList(geometry, point: ndarray, finder_results: ndarray)

Bases: Neighbors

List of atoms that are close to a point in space.

The usual way to get a PointNeighborList object is by iterating over a PointsNeighborList. See its documentation for examples.

See also

PointsNeighborList

The list that, when iterated, returns PointNeighborList objects.

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 point.

split_indices

Indices to split the interactions of each atom.
Parameters:

  • point (np.ndarray)

  • finder_results (np.ndarray)

__init__(geometry, point: ndarray, finder_results: ndarray)[source]
Parameters:
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 point.

point: np.ndarray
property split_indices: ndarray

Indices to split the interactions of each atom.