Cassandra is now available on GitHub

You can find the latest version of Cassandra (as of August 2020 it is 1.2.4) here:

A lot of new features and bug fixes have been made since V1.2. Please update!

The latest version of the user manual can be found here:

For a comprehensive listing of supported keywords and options, we refer you to the user guide.

We held a Cassandra workshop at Notre Dame in June 2016. Materials from the workshop (notes, example files and scripts) are posted under Documentation. Feel free to download and use these materials, but please give proper attribution if you publish or use the materials in your work.

We hope you find Cassandra to be a helpful tool in your research. The easier way to communicate with the developers is by creating an issue on GitHub.


How to cite: 

If you use Cassandra for your research, please make sure to cite our paper:

Cassandra: An Open Source Monte Carlo Package for Molecular Simulation", Jindal K. Shah, Eliseo Marin-Rimoldi, Ryan Gotchy Mullen,Brian P. Keene, Sandip Khan, Andrew S. Paluch, Neeraj Rai, Lucienne L. Romanielo, Thomas W. Rosch, Brian Yoo, and Edward J. Maginn, Journal of Computational Chemistry 2017, 38, 1727–1739