{ "info": { "author": "ChemKinLib Developers", "author_email": "hsim13372@gmail.com", "bugtrack_url": null, "classifiers": [], "description": "ChemKinLib [![Build Status](https://travis-ci.org/cs207-group11/cs207-FinalProject.svg?branch=master)](https://travis-ci.org/cs207-group11/cs207-FinalProject.svg?branch=master) [![Coverage Status](https://coveralls.io/repos/github/cs207-group11/cs207-FinalProject/badge.svg?branch=master)](https://coveralls.io/github/cs207-group11/cs207-FinalProject?branch=master)\n===================\n\n### Group #11: Karan R. Motwani, Shiyu Huang, Hannah Sim, and Haixing Yin.\n\nChemKinLib (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:\n\n- Elementary reactions: irreversible and reversible\n\nAnd of these reactions, the following reaction rate coefficients are supported:\n- Constant\n- Arrhenius\n- Modified Arrhenius\n\nThis 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.\n\n## Installation\nThere are two options for installing ChemKinLib:\n\n1) Clone the repository into you local system.\n\n2) Execute in terminal: `python3 setup.py install` or `python3 -m pip install -e .`\n\nOR\n\n1) Execute in terminal: `pip3 install chemkinlib11`\n\n2) Try executing `import chemkinlib` to test the installation in your terminal.\n\n## Examples\nThere 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.\n\n## Documentation\nThe documentation for the library can be found [here](https://github.com/cs207-group11/cs207-FinalProject/blob/master/CS207_Documentation.pdf).\n\n## Dependencies\nSee [requirements](https://github.com/cs207-group11/cs207-FinalProject/blob/master/requirements.txt) for dependencies.\n\n## License\nSee [LICENSE](https://github.com/cs207-group11/cs207-FinalProject/blob/master/LICENSE) file distributed with ChemKinLib for more information.\n\n## Contributing\nContributions 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.\n\n## Support\nIf 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\n\n\n", "description_content_type": null, "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/cs207-group11/cs207-FinalProject", "keywords": "", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "chemkinlib11", "package_url": "https://pypi.org/project/chemkinlib11/", "platform": "", "project_url": "https://pypi.org/project/chemkinlib11/", "project_urls": { "Homepage": "https://github.com/cs207-group11/cs207-FinalProject" }, "release_url": "https://pypi.org/project/chemkinlib11/0.1.3/", "requires_dist": [ "graphviz", "imageio", "jupyter", "moviepy", "numpy", "pytest", "scipy" ], "requires_python": "", "summary": "Chemical kinetics code", "version": "0.1.3" }, "last_serial": 3407916, "releases": { "0.1.2": [ { "comment_text": "", "digests": { "md5": "55243d8ea5d993037d899bda4eaa2684", "sha256": "067d35b24a44ce54587704afc5ec354592937dc2b1106b57b0595eed52b823d2" }, "downloads": -1, "filename": "chemkinlib11-0.1.2-py3-none-any.whl", "has_sig": false, "md5_digest": "55243d8ea5d993037d899bda4eaa2684", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": null, "size": 34892, "upload_time": "2017-11-20T16:33:54", "url": "https://files.pythonhosted.org/packages/bb/97/35cbcabc97a637d88a686707cec12868497e3691cb8db035550f935d7f11/chemkinlib11-0.1.2-py3-none-any.whl" } ], "0.1.3": [ { "comment_text": "", "digests": { "md5": "f3440a57f52ff37633360942354d96df", "sha256": "bb7f04307f15c0c151cf4422c55d28f86577b74db6f28115b2102767c90c49c7" }, "downloads": -1, "filename": "chemkinlib11-0.1.3-py3-none-any.whl", "has_sig": false, "md5_digest": "f3440a57f52ff37633360942354d96df", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": null, "size": 46846, "upload_time": "2017-12-11T16:41:05", "url": "https://files.pythonhosted.org/packages/af/53/cf24ebd57a1ddc5ebf35d1c2f8c79e0a83fe5adf9db8e83871c3620e7e48/chemkinlib11-0.1.3-py3-none-any.whl" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "f3440a57f52ff37633360942354d96df", "sha256": "bb7f04307f15c0c151cf4422c55d28f86577b74db6f28115b2102767c90c49c7" }, "downloads": -1, "filename": "chemkinlib11-0.1.3-py3-none-any.whl", "has_sig": false, "md5_digest": "f3440a57f52ff37633360942354d96df", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": null, "size": 46846, "upload_time": "2017-12-11T16:41:05", "url": "https://files.pythonhosted.org/packages/af/53/cf24ebd57a1ddc5ebf35d1c2f8c79e0a83fe5adf9db8e83871c3620e7e48/chemkinlib11-0.1.3-py3-none-any.whl" } ] }