apply_symmetries

apply_symmetries(coords, symmetry_elements: 'list[np.ndarray]', labels=None, tol=0.1): 

LLM Docstring

Grow a set of coordinates by repeatedly applying symmetry operations, keeping only the newly generated (non-duplicate) points.

For each operation the transformed points are compared against the current set (within tolerance tol) and only distinct new points are appended; optional labels are propagated alongside.

• coords: np.ndarray

  the seed coordinates

• symmetry_elements: list[np.ndarray]

  the symmetry operation matrices to apply

• labels: Iterable | bool | None

  optional per-point labels to carry along

• tol: float

  duplicate-detection tolerance

• :returns: np.ndarray | tuple

  the expanded coordinates (and labels if provided)