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Automatically test chemical kinetic models using experimental data
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README.md

PyTeCK

DOI Build Status Build Status codecov Dependency Status Code of Conduct License Anaconda

This software package automatically evaluates the performance of a chemical kinetic model using experimental data given in a specified YAML format.

Installation

The easiest way to install PyTeCK is via conda. You can install to your environment with

> conda install -c pr-omethe-us pyteck

which will also handle all the dependencies. Alternatively, you can install from PyPI with

> pip install pyteck

If you prefer to install manually, or want a particular version outside of the tagged releases distributed to those services, you can download the source files from this repository, navigate to the directory, and install using either setuptools

> python setup.py install

or pip

> pip install .

pip is recommended due to its easy uninstall option (pip uninstall pyteck).

Usage

Once installed, the full list of options can be seen using pyteck -h or pyteck --help.

Code of Conduct

In order to have a more open and welcoming community, PyTeCK 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 PyTeCK community. It is strictly enforced on all official PyTeCK repositories, websites, and resources. If you encounter someone violating these terms, please let @kyleniemeyer know via email at kyle.niemeyer@gmail.com and we will address it as soon as possible.

Citation

If you use this package as part of a scholarly publication, please refer to CITATION.md for instructions on how to cite this resource directly.

License

PyTeCK is released under the MIT license; see LICENSE for details.

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