Cassandra Monte Carlo Software¶
Overview¶
Cassandra is an open source Monte Carlo software package developed in the Maginn group at the University of Notre Dame. It is designed to perform atomistic simulations of molecules composed of rings, chains, or both.
Warning
ReadTheDocs documentation for Cassandra is currently under construction. The PDF reference manual is still considered the authoritative source during our transition to ReadTheDocs. This message will be removed once the transition to ReadTheDocs is complete.
Resources¶
- Installation guide: Instructions for installing Cassandra
- Cassandra Basics: The basic workflow to use Cassandra
- MoSDeF Cassandra : A full-fledged Python wrapper for Cassandra
- GitHub repository: View the source code, contribute, and raise issues
- Workshop Materials: Notes on statistical mechanics and additional tutorials from a June 2016 Cassandra Workshop
Citation¶
Please cite our publication if you use this software as part of your research.
Installation¶
Complete installation instructions are here. A conda installation is available:
conda create --name mc -c conda-forge cassandra
Credits¶
Development of Cassandra was supported by the National Science Foundation under grant number ACI-1339785. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.
Complete acknowledgements can be found here.