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/.
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/
Installation
Detailed installation instructions can be found in the full documentation. However, pyJac can be installed as a Python module:
python setup.py install
or from PyPI using pip:
pip install pyjac
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.
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.
Authors
Created by Kyle Niemeyer (kyle.niemeyer@gmail.com) and Nicholas Curtis (nicholas.curtis@uconn.edu)