RMG documentation¶
RMG is an automatic chemical reaction mechanism generator that constructs mechanisms composed of elementary chemical reaction steps using a general understanding of how molecules react. This is its documentation.
This documentation is for RMG version 4.0.1.
Contents¶
- Introduction to RMG
- Getting and Installing RMG
- Creating a Condition File Manually
- Liquid Phase Systems
- Example Condition Files
- Creating a Condition File Using the Graphical User Interface
- Kinetics Libraries
- Running RMG
- Analyzing the Output
- Modifying the RMG Databases
- Representing oxygen
- Estimating Species Thermochemistry
- Estimating Species Transport Properties
- Identifying all Reactions for a Set of Species
- Converting Between Different Species IDs
- Theory and Implementation Details
- FAQ (Frequently-Asked Questions)
- Tips for Setting Up an RMG Job
- Troubleshooting and Known Issues
- Credits
- How to cite
