Cepstral Data Analysis of current time series for Green-Kubo transport coefficients
Project description
thermocepstrum
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.
Usage
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.
Requirements
- Python 2.7
- Numpy
- Scipy
- Matplotlib
Installation
- Clone this repository
git clone https://github.com/lorisercole/thermocepstrum.git
- 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
.
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Hashes for thermocepstrum-0.1.2-py2-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 0df71a8ac57e6c1edda8033eb2d31a31fc2adb580c0dc76abf7f39e249825158 |
|
MD5 | bc2c5f0b160cacead65b81a1eec4f07f |
|
BLAKE2b-256 | af901b1cbd2b91dd973eb21a187b309891b0fe23ddf4ff264c5fe1c4a6b9f3bb |