atomistics.workflows.quasiharmonic.get_free_energy_classical

atomistics.workflows.quasiharmonic.get_free_energy_classical(frequency: ndarray, temperature: float | ndarray) → ndarray

Calculate the classical free energy.

Parameters:

• frequency (np.ndarray) – Array of frequencies.

• temperature (np.ndarray) – Array of temperatures.

Returns:

Array of classical free energies.

Return type:

np.ndarray