JCOSMO Documentation

Welcome to the JCOSMO Documentation Repository. This repository contains user guides, tutorials, and reference materials for JCOSMO, a tool for COSMO-based modeling and property prediction.

The live documentation is available at lvpp.github.io/jcosmo-docs/.

About JCOSMO

JCOSMO is a computational chemistry package designed for predicting thermodynamic properties using COSMO-based models and more.

Note: This repository contains documentation only. The JCOSMO software itself is hosted separately and distributed under a different license.

License

The content in this repository is licensed under the Creative Commons Attribution 4.0 International (CC BY 4.0) License.
You are free to share and adapt the material as long as you provide proper attribution.

However, the JCOSMO software is distributed under a separate license. For details on its terms and conditions, please refer to the license file included with the JCOSMO installation.

Contributing

We welcome contributions to improve the documentation! If you find errors, have suggestions, or want to contribute new content, feel free to open an issue or submit a pull request.

Building the Documentation and Contributing

This project uses MkDocs to generate and serve the documentation. To view it locally or to make corrections or additions, follow these steps:

Prerequisites

Ensure you have Python 3 support and MkDocs installed.

If you don't have Python installed, please follow these steps:

1. Download Python: Visit the official Python website and download the latest version suitable for your operating system.
2. Install Python: Follow the installation instructions. Make sure to check the option to add Python to your system’s PATH during the installation process.
3. Verify Installation: After installation, verify Python is installed correctly by running the following command in your terminal or command prompt:

python --version

Make sure you have Python version 3 or newer.

If you don't have MkDocs and the other dependencies installed, install it using:

pip install mkdocs python-markdown-math mkdocs-bibtex mkdocs-material pygments

Work on your own fork and test it locally

1. Create a GitHub account (if you don’t have one yet) by signing up here.
2. Fork the repository: Navigate to the JCOSMO Documentation project and click the Fork button in the top-right corner.
3. Clone your fork: After forking, clone the repository to your local machine using:

   git clone https://github.com/your-username/jcosmo-docs.git

4. Make your changes: Edit the documentation files locally as needed. Be sure to follow the repository's style guide and structure.
5. Serve the documentation:

   mkdocs serve

6. Open the documentation:
   • The local development server will start, and you can view the documentation at:
     http://127.0.0.1:8000/
7. Commit your changes: Once you’re happy with your edits, commit them to your fork using:

   git commit -m "Brief description of changes"

8. Push your changes: Push the committed changes back to your fork on GitHub:

   git push origin main

9. Submit a pull request: Go to your forked repository and submit a pull request (PR) with your changes. Make sure to describe the changes you've made and why they are important.

Deploying on GitHub Pages

For staff only: After merging a pull request or updating the content, deploy the documentation by running:

mkdocs gh-deploy

The live documentation is available at lvpp.github.io/jcosmo-docs/.

For more details, check the MkDocs documentation.