sarkas.tools.observables.StaticStructureFactor#

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

Static Structure Factors.

The species dependent SSF \(S_{AB}(\mathbf k)\) is calculated from

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

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

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

Variables

k_list (list) – List of all possible \(k\) vectors with their corresponding magnitudes and indexes.
k_counts (numpy.ndarray) – Number of occurrences of each \(k\) magnitude.
ka_values (numpy.ndarray) – Magnitude of each allowed \(ka\) vector.
no_ka_values (int) – Length of ka_values array.

Methods

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