sarkas.tools.observables.Thermodynamics
sarkas.tools.observables.Thermodynamics#
- class sarkas.tools.observables.Thermodynamics[source]#
Thermodynamic functions.
Methods
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.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.
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.
Read the observable's info from the pickle file.
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.
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.Update the
slice_steps
, CCF's and DSF's attributes, and save pickle file with observable's info.