pyJac
This utility creates source code to calculate the Jacobian matrix analytically for a chemical reaction mechanism.
Documentation
The full documentation for pyJac can be found at http://slackha.github.io/pyJac/.
User Group
Further support can be found at our user group, or by opening an issue on our github repo.
Installation
Detailed installation instructions can be found in the
full documentation.
The easiest way to install pyJac is via conda. You can install to your
environment with
> conda install -c slackha pyjac
pyJac can also be installed from PyPI using pip:
pip install pyjac
or, using the downloaded source code, installed as a Python module:
> python setup.py install
Usage
pyJac can be run as a python module:
> python -m pyjac [options]
The generated source code is placed within the out (by default) directory,
which is created if it doesn't exist initially.
See the documentation or use python pyjac -h for the full list of options.
Theory
Theory, derivations, validation and performance testing can be found in the paper
fully describing version 1.0.2 of pyJac: https://niemeyer-research-group.github.io/pyJac-paper/,
now published via https://doi.org/10.1016/j.cpc.2017.02.004 and available
openly via arXiv:1605.03262 [physics.comp-ph].
License
pyJac is released under the MIT license; see the LICENSE for details.
If you use this package as part of a scholarly publication, please see CITATION.md for the appropriate citation(s).
Contributing
We welcome contributions to pyJac! Please see the guide to making contributions in the CONTRIBUTING.md file.
Code of Conduct
In order to have a more open and welcoming community, pyJac adheres to a code of conduct adapted from the Contributor Covenant code of conduct.
Please adhere to this code of conduct in any interactions you have in the pyJac community. It is strictly enforced on all official pyJac repositories, websites, and resources. If you encounter someone violating these terms, please let a maintainer (@kyleniemeyer or @arghdos, via email at slackha@googlegroups.com) know and we will address it as soon as possible.
Authors
Created by Kyle Niemeyer (kyle.niemeyer@gmail.com) and Nicholas Curtis (arghdos@gmail.com)