Code to compute thermal conductivity through cepstral analysis of heat flux time series, as described in papers:

• Ercole, Marcolongo, Baroni, Sci. Rep. 7, 15835 (2017), https://doi.org/10.1038/s41598-017-15843-2
• for the multi-component analysis: Baroni, Bertossa, Ercole, Grasselli, Marcolongo, https://arxiv.org/abs/1802.08006

Acknowledgement The development of this software is part of the scientific program of the EU MaX Centre of Excellence for Supercomputing Applications (Grant No. 676598) and has been partly funded through it.

The code can be used as a library, for example in a Jupyter notebook. In the examples folder you can find some examples.

Alternatively, you can run the code analysis.py from the command line. It can execute most of the cepstral analysis routines, returning the results in a series of data files and PDF plots. See the examples folder and the help (python analysis.py --help) for more information.

• Python 2.7
• Numpy
• Scipy
• Matplotlib

You can simply pip-install thermocepstrum with pip install thermocepstrum.

Alternatively:

1. Clone this repository: git clone https://github.com/lorisercole/thermocepstrum.git
2. Install the package with pip (dependencies will be automatically downloaded). For example:

cd thermocepstrum
pip install .

You are done! You can check that the installation is working by trying to run the command thermocepstrum-analysis.