sarkas.tools.observables.DynamicStructureFactor#

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

Dynamic Structure factor.

The species dependent DSF \(S_{AB}(k,\omega)\) is calculated from

\[S_{AB }(k,\omega) = \int_0^\infty dt \, \left \langle | n_{A}( \mathbf k, t)n_{B}( -\mathbf k, t) \right \rangle e^{i \omega t},\]

where the microscopic density of species \(A\) with number of particles \(N_{A}\) is given by

\[n_{A}(\mathbf k,t) = \sum^{N_{A}}_{j} e^{-i \mathbf k \cdot \mathbf r_j(t)} .\]

Methods

`DynamicStructureFactor.__init__`()
`DynamicStructureFactor.calc_k_data`()	Calculate and save Fourier space data.
`DynamicStructureFactor.calc_kt_data`([...])	Calculate Time dependent Fourier space quantities.
`DynamicStructureFactor.compute`()	Calculate the observable (and its autocorrelation function).
`DynamicStructureFactor.create_dirs_filenames`()
`DynamicStructureFactor.from_dict`(input_dict)	Update attributes from input dictionary.
`DynamicStructureFactor.grab_sim_data`([pva])	Read in particles data
`DynamicStructureFactor.parse`()	Grab the pandas dataframe from the saved csv file.
`DynamicStructureFactor.parse_k_data`()	Read in the precomputed Fourier space data.
`DynamicStructureFactor.parse_kt_data`([...])	Read in the precomputed time dependent Fourier space data.
`DynamicStructureFactor.plot`([scaling, acf, ...])	Plot the observable by calling the pandas.DataFrame.plot() function and save the figure.
`DynamicStructureFactor.pretty_print`()	Print dynamic structure factor calculation parameters for help in choice of simulation parameters.
`DynamicStructureFactor.read_pickle`()	Read the observable's info from the pickle file.
`DynamicStructureFactor.save_hdf`()
`DynamicStructureFactor.save_pickle`()	Save the observable's info into a pickle file.
`DynamicStructureFactor.setup`(params[, ...])	Assign attributes from simulation's parameters.
`DynamicStructureFactor.setup_init`(params[, ...])	Assign Observables attributes and copy the simulation's parameters.
`DynamicStructureFactor.setup_multirun_dirs`()	Set the attributes postprocessing_dir and dump_dirs_list.
`DynamicStructureFactor.time_stamp`(message, ...)	Print to screen the elapsed time of the calculation.
`DynamicStructureFactor.update_args`(**kwargs)	Update observable specific attributes and call `update_finish()` to save info.
`DynamicStructureFactor.update_finish`()	Update the `slice_steps`, CCF's and DSF's attributes, and save pickle file with observable's info.