Reaction Mechanism Generator (RMG)
Description
This repository contains the Python version of Reaction Mechanism Generator (RMG), a tool for automatically generating chemical reaction mechanisms for modeling reaction systems including pyrolysis, combustion, atmospheric science, and more.
It also includes CanTherm, the package for calculating thermodynamics, high-pressure-limit rate coefficients, and pressure dependent rate coefficients from quantum chemical calculations. CanTherm is compatible with a variety of ab initio quantum chemistry software programs, including but not limited to Gaussian, MOPAC, QChem, and MOLPRO.
Source Code Repository
- RMG Github Repository: contains the latest source code for RMG
- RMG-database Github Repository: contains source code for the latest version of the database
Latest Stable Release
View the Release Notes.
How to Install
View the Download and Install page.
Documentation
- RMG Documentation (PDF version)
- CanTherm Documentation (PDF version)
- RMG API Reference (PDF version)
Alternatively, PDF versions of all the documentation can also be found in the documentation
folder of the source code.
Credits
- Professor William H. Green's research group at the Massachusetts Institute of Technology
- Professor Richard H. West's research group at Northeastern University.
How to Give Feedback
Please post any issues you may have to the issues page
or drop in to the chat room or email rmg_dev@mit.edu if you have questions.
Useful Links
- Interactive Website: Visit this site to visualize RMG-generated models, view the databases, and perform thermodynamics and kinetics searches
- Wiki: a wiki for developer notes
- Issues Page: view current issues and feature requests
Continuous Integration
We have a continuous integration build test suite which you can access at https://travis-ci.org/ReactionMechanismGenerator/RMG-Py The current build status is