raspa3
A general purpose classical simulation package
A general purpose classical simulation package
To install this package, run one of the following:
RASPA is a software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials. The code implements the latest state-of-the-art algorithms for Molecular Dynamics and Monte Carlo in various ensembles including symplectic/measure-preserving integrators, Ewald summation, Configurational-Bias Monte Carlo, Continuous Fractional Component Monte Carlo, and Reactive Monte Carlo.
Summary
A general purpose classical simulation package
Last Updated
May 3, 2026 at 19:28
License
MIT
Supported Platforms
GitHub Repository
https://github.com/iraspa/raspa3Documentation
https://iraspa.github.io/RASPA3