atomistics.workflows.elastic.symmetry.symmetry_analysis

atomistics.workflows.elastic.symmetry.symmetry_analysis(structure: Atoms, eps_range: float, num_of_point: int) → tuple[int, float, str, list[str], ndarray]

Perform symmetry analysis on a given atomic structure.

Parameters:

• structure (Atoms) – The atomic structure.

• eps_range (float) – The range of epsilon values.

• num_of_point (int) – The number of points to evaluate.

Returns:

The symmetry group number, volume, symmetry family, list of Lagrangian strain types, and array of epsilon values.

Return type:

Tuple[int, float, str, List[str], np.ndarray]