devinberg / pyJac

Creates C and CUDA analytical Jacobians for chemical kinetics ODE systems

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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)

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Creates C and CUDA analytical Jacobians for chemical kinetics ODE systems

License:MIT License


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Language:Python 96.8%Language:Cuda 1.9%Language:C 1.3%