matlantis_features.features.md.post_features.diffusion.fit_diffusion_coefficients(time: ndarray, msd: ndarray, dimensions: int = 1) → Tuple[float, float]#

Obtain the diffusion coefficient from fitting the time and the mean squared displacement.

Parameters

  • time (np.ndarray) – The time of each step in fs.

  • msd (np.ndarray) – The mean squared displacement.

  • dimensions (int, optional) – The dimensions. Defaults to 1.

Returns

The diffusion coefficient and its standard deviation.

Return type

Tuple[float, float]