In this folder you can find some practical examples using sportran to compute the thermal conductivity of a system.

• the data folder contains the trajectories, obtained from classical NVE molecular dynamic simulations, of a silica and a molten NaCl system, that are analysed in the examples.

These examples show how to use the sportran package in a Python script, step by step, to analyse a time series and perform cepstral analysis. Some of the tools and plot functions of the code are presented.

• example_cepstrum_singlecomp_silica.ipynb: analysis of solid amorphous silica, a one-component system.
• example_cepstrum_doublecomp_NaCl.ipynb: analysis of molten NaCl, a two-component system.

These examples show how to use the command line program analysis.py to perform cepstral analysis in a straightforward. This is an expedient tool to analyse a time series using predefined parameters. Results are produced in the form of numerous text/binary files and pdf plots.

• example_commandline_NaCl: analysis of molten NaCl, a two-component system.