sarkas.tools.observables.Thermodynamics#

class sarkas.tools.observables.Thermodynamics[source]#

Thermodynamic functions.

Methods

Thermodynamics.__init__()

Thermodynamics.calc_k_data()

Calculate and save Fourier space data.

Thermodynamics.calc_kt_data([nkt_flag, vkt_flag])

Calculate Time dependent Fourier space quantities.

Thermodynamics.compute_from_rdf(rdf, potential)

Calculate the correlational energy and correlation pressure using sarkas.tools.observables.RadialDistributionFunction.compute_sum_rule_integrals() method.

Thermodynamics.create_dirs_filenames()

Thermodynamics.from_dict(input_dict)

Update attributes from input dictionary.

Thermodynamics.grab_sim_data([pva])

Read in particles data

Thermodynamics.parse([phase])

Grab the pandas dataframe from the saved csv file.

Thermodynamics.parse_k_data()

Read in the precomputed Fourier space data.

Thermodynamics.parse_kt_data([nkt_flag, ...])

Read in the precomputed time dependent Fourier space data.

Thermodynamics.plot([scaling, acf, figname, ...])

Plot the observable by calling the pandas.DataFrame.plot() function and save the figure.

Thermodynamics.read_pickle()

Read the observable's info from the pickle file.

Thermodynamics.save_hdf()

Thermodynamics.save_pickle()

Save the observable's info into a pickle file.

Thermodynamics.setup(params[, phase])

Assign attributes from simulation's parameters.

Thermodynamics.setup_init(params[, phase, ...])

Assign Observables attributes and copy the simulation's parameters.

Thermodynamics.setup_multirun_dirs()

Set the attributes postprocessing_dir and dump_dirs_list.

Thermodynamics.temp_energy_plot(process[, ...])

Plot Temperature and Energy as a function of time with their cumulative sum and average.

Thermodynamics.time_stamp(message, timing)

Print to screen the elapsed time of the calculation.

Thermodynamics.update_args(**kwargs)

Update observable specific attributes and call update_finish() to save info.

Thermodynamics.update_finish()

Update the slice_steps, CCF's and DSF's attributes, and save pickle file with observable's info.