numkit
numkit is a small collection of numerical helper functions and classes ("numerical first aid kit") that have been useful for GromacsWrapper and related projects.
Originally, numkit was part of GromacsWrapper but was split off into its own small package in version 0.7.0 of GromacsWrapper.
Getting numkit
Install from PyPi with
pip install numkit
The source code is available under the BSD 3-clause license (see file LICENSE) from GitHub in the repository https://github.com/Becksteinlab/numkit
git clone https://github.com/Becksteinlab/numkit
Contributing
Contributions are very welcome in all forms, especially through issue reports and pull requests.