atomistics.workflows.evcurve.helper.get_strains

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atomistics.workflows.evcurve.helper.get_strains#

atomistics.workflows.evcurve.helper.get_strains(vol_range: float | None = None, num_points: int | None = None, strain_lst: list[float] | None = None) → ndarray[source]#

Generate an array of strain values.

Parameters:

  • vol_range (float, optional) – The range of volumetric strain. Defaults to None.

  • num_points (int, optional) – The number of points to generate. Defaults to None.

  • strain_lst (List[float], optional) – A list of predefined strain values. Defaults to None.

Returns:

An array of strain values.

Return type:

np.ndarray

Raises:

ValueError – If neither strain_lst nor vol_range and num_points are defined.

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