sarkas.tools.transport.TransportCoefficients#

class sarkas.tools.transport.TransportCoefficients(params, phase='production', no_slices=1)[source]#

Transport Coefficients class.

Parameters

  • params (sarkas.core.Parameters) – Simulation parameters.

  • phase (str, optional) – Simulation’s phase. “equilibration” or “production”. Default = “production”.

  • no_slices (str, optional) – Number of slices in which the phase has been divided. Default = 1.

Methods

TransportCoefficients.__init__(params[, ...])

TransportCoefficients.create_dir()

Create directory where to save the transport coefficients.

TransportCoefficients.diffusion(observable)

Calculate the transport coefficient from the Green-Kubo formula

TransportCoefficients.electrical_conductivity(...)

Calculate the transport coefficient from the Green-Kubo formula

TransportCoefficients.interdiffusion(observable)

Calculate the transport coefficient from the Green-Kubo formula

TransportCoefficients.parse(observable, tc_name)

Read the HDF files containing the transport coefficients.

TransportCoefficients.plot_tc(time, ...[, show])

Make dual plots with ACF and transport coefficient.

TransportCoefficients.pretty_print(tc_name)

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

TransportCoefficients.save_hdf([df, ...])

Save the HDF dataframes to disk in the TransportCoefficient folder.

TransportCoefficients.viscosity(observable)

Calculate the transport coefficient from the Green-Kubo formula.