atomistics.workflows.evcurve.fit.fit_polynomial

atomistics.workflows.evcurve.fit.fit_polynomial(volume_lst: ndarray, energy_lst: ndarray, fit_order: int) → dict

Fit a polynomial to the given volume and energy data.

Parameters:

• volume_lst (np.ndarray) – Array of volumes

• energy_lst (np.ndarray) – Array of energies

• fit_order (int) – Order of the polynomial fit

Returns:

Dictionary containing the fit results

Return type:

dict