sarkas.tools.transport.TransportCoefficients
sarkas.tools.transport.TransportCoefficients#
- class sarkas.tools.transport.TransportCoefficients[source]#
Transport Coefficients parent.
Methods
Calculate the average temperature from the
sarkas.tools.observables.Thermodynamicsdata.Create paths of the filenames of the dataframes.
TransportCoefficients.diffusion(observable)Calculate the transport coefficient from the Green-Kubo formula.
Calculate the transport coefficient from the Green-Kubo formula.
Grab the autocorrelation function datasets by calling the observable's
parse()method.Grab observables autocorrelation data and initialize the dataframes where to store the data.
TransportCoefficients.interdiffusion(observable)Calculate the transport coefficient from the Green-Kubo formula
Create directories where to save the transport coefficients.
TransportCoefficients.parse(observable)Read the HDF files containing the transport coefficients.
TransportCoefficients.plot_tc(time, ...[, show])Make dual plots with ACF and transport coefficient.
Print to screen the location where data is stored and other relevant information.
Save the HDF dataframes to disk in the TransportCoefficient folder.
TransportCoefficients.setup(params, observable)- Parameters
params (
sarkas.core.Parameters) -- Simulation parameters.
TransportCoefficients.time_stamp(message, timing)Print out to screen elapsed times.
TransportCoefficients.viscosity(observable)Calculate the transport coefficient from the Green-Kubo formula