Getting Started with Swiftpol

Welcome to the Swiftpol documentation! This guide will help you get started with using Swiftpol for polymer molecular dynamics simulations.

Installation

To install Swiftpol, you can use conda. Run the following commands in your terminal:

git clone https://github.com/matta-research-group/SwiftPol
cd swiftpol
conda env create -f Dev_tools/swiftpol.yml -n swiftpol -y
conda activate swiftpol

Swiftpol is in development. To install an editable version, clone the repository and install it locally:

git clone https://github.com/matta-research-group/SwiftPol
cd swiftpol
pip install -e .

Basic Usage

Example usage can be found in our example notebooks.

Contributing

We welcome contributions from the community. All contributors to SwiftPol should follow our Code of Conduct. To submit your feature to be incorporated to the main branch, you should submit a Pull Request. The repository maintainers will review your pull request before accepting your changes.

Support

If you encounter any issues or have any questions, please open an issue on our GitHub repository.

License

Swiftpol is licensed under the BSD-3-Clause License.