chemkinlib11 0.1.3

ChemKinLib [](https://travis-ci.org/cs207-group11/cs207-FinalProject.svg?branch=master) [](https://coveralls.io/github/cs207-group11/cs207-FinalProject?branch=master)
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### Group #11: Karan R. Motwani, Shiyu Huang, Hannah Sim, and Haixing Yin.

ChemKinLib (Chemical Kinetics Library) consists of classes and functions to allow the user to interpret the kinetics of a system of chemical reaction by computing the associated reaction rates. The library currently supports:

- Elementary reactions: irreversible and reversible

And of these reactions, the following reaction rate coefficients are supported:
- Constant
- Arrhenius
- Modified Arrhenius

This Python library is designed to exhibit flexibility, extensibility, and ease of use. The initial input provided by the user is an `.xml` file while other individual parameters (temperature and concentrations) are entered during runtime.

## Installation
There are two options for installing ChemKinLib:

1) Clone the repository into you local system.

2) Execute in terminal: `python3 setup.py install` or `python3 -m pip install -e .`

OR

1) Execute in terminal: `pip3 install chemkinlib11`

2) Try executing `import chemkinlib` to test the installation in your terminal.

## Examples
There are two examples in the `examples` subdirectory: (a) `rev_rxns.py` (system of reversible, elementary reactions) and (b) `irrev_rxns.py` (system of irreversible, elementary reactions). They show the user how to set up a calculation using ChemKinLib to compute the reaction rate of each specie involved in the reactions. In addition, there is an iPython notebook tutorial (`basic-tutorial.ipynb`) that goes through the steps to compute reaction rates for a set of irreversible reactions.

## Documentation
The documentation for the library can be found [here](https://github.com/cs207-group11/cs207-FinalProject/blob/master/CS207_Documentation.pdf).

## Dependencies
See [requirements](https://github.com/cs207-group11/cs207-FinalProject/blob/master/requirements.txt) for dependencies.

## License
See [LICENSE](https://github.com/cs207-group11/cs207-FinalProject/blob/master/LICENSE) file distributed with ChemKinLib for more information.

## Contributing
Contributions are welcome (post project evaluation). If you wish to contribute, please take a few moment to review the [branching model](http://nvie.com/posts/a-successful-git-branching-model/) this repository utilizes.

## Support
If you have questions or need help with using or contributing to the repository, feel free to ask questions through: https://github.com/cs207-group11/cs207-FinalProject/issues