structuretoolkit.analyse.spatial.remove_too_close

structuretoolkit.analyse.spatial.remove_too_close(positions: ndarray, structure: Atoms, min_distance: float = 1) → ndarray

Remove positions that are too close to the neighboring atoms.

Parameters:

• positions (np.ndarray) – The positions to be checked.

• structure (Atoms) – The atomic structure.

• min_distance (float) – The minimum distance allowed.

Returns:

The filtered positions.

Return type:

np.ndarray