sarkas.tools.transport.ThermalConductivity#

class sarkas.tools.transport.ThermalConductivity[source]#

Methods

ThermalConductivity.__init__()

ThermalConductivity.calculate_average_temperature(params)

Calculate the average temperature from the sarkas.tools.observables.Thermodynamics data.

ThermalConductivity.compute(observable[, ...])

Calculate the transport coefficient from the Green-Kubo formula.

ThermalConductivity.copy_params(params)

ThermalConductivity.create_df_filenames()

Create paths of the filenames of the dataframes.

ThermalConductivity.diffusion(observable[, ...])

Calculate the transport coefficient from the Green-Kubo formula.

ThermalConductivity.electrical_conductivity(...)

Calculate the transport coefficient from the Green-Kubo formula.

ThermalConductivity.get_observable_data(...)

Grab the autocorrelation function datasets by calling the observable's parse() method.

ThermalConductivity.initialize_dataframes(...)

Grab observables autocorrelation data and initialize the dataframes where to store the data.

ThermalConductivity.interdiffusion(observable)

Calculate the transport coefficient from the Green-Kubo formula

ThermalConductivity.make_directories()

Create directories where to save the transport coefficients.

ThermalConductivity.parse(observable)

Read the HDF files containing the transport coefficients.

ThermalConductivity.plot(observable[, ...])

Make a dual plot comparing the ACF and the Transport Coefficient by using the plot_tc() method.

ThermalConductivity.plot_tc(time, acf_data, ...)

Make dual plots with ACF and transport coefficient.

ThermalConductivity.pretty_print()

ThermalConductivity.pretty_print_msg()

Print to screen the location where data is stored and other relevant information.

ThermalConductivity.save_hdf()

Save the HDF dataframes to disk in the TransportCoefficient folder.

ThermalConductivity.setup(params, observable)

Parameters

ThermalConductivity.time_stamp(message, timing)

Print out to screen elapsed times.

ThermalConductivity.viscosity(observable[, ...])

Calculate the transport coefficient from the Green-Kubo formula