sarkas.tools.transport.InterDiffusion.compute
sarkas.tools.transport.InterDiffusion.compute#
- InterDiffusion.compute(observable, plot=True, display_plot=False)[source]#
Calculate the transport coefficient from the Green-Kubo formula
- Parameters
observable (
sarkas.tools.observables.DiffusionFlux) – Observable object containing the ACF whose time integral leads to the interdiffusion coefficient.plot (bool, optional) – Flag for making the dual plot of the ACF and transport coefficient. Default = True.
display_plot (bool, optional) – Flag for displaying the plot if using the IPython. Default = False