- matlantis_features.features.md.post_features.diffusion.fit_diffusion_coefficients(time: ndarray, msd: ndarray, dimensions: int = 1) Tuple[float, float] #
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Obtain the diffusion coefficient from fitting the time and the mean squared displacement.
- Parameters
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time (np.ndarray) – The time of each step in fs.
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msd (np.ndarray) – The mean squared displacement.
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dimensions (int, optional) – The dimensions. Defaults to 1.
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- Returns
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The diffusion coefficient and its standard deviation.
- Return type
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Tuple[float, float]
Resource Library
matlantis_features.features.md.post_features.diffusion.fit_diffusion_coefficients