RMG API Reference

This document provides the complete details of the application programming interface (API) for the Python version of the Reaction Mechanism Generator. The functionality of RMG-Py is divided into many modules and subpackages. An overview of these components is given in the table below. Click on the name of a component to learn more and view its API.

Module	Description
arkane	Computing chemical properties from quantum chemistry calculations
rmgpy.chemkin	Reading and writing models in Chemkin format
rmgpy.constants	Physical constants
rmgpy.data	Working with the RMG database
rmgpy.kinetics	Kinetics models of chemical reaction rates
rmgpy.molecule	Molecular representations using chemical graph theory
rmgpy.pdep	Pressure-dependent kinetics from master equation models
rmgpy.qm	On-the-fly quantum calculations
rmgpy.quantity	Physical quantities and unit conversions
rmgpy.reaction	Chemical reactions
rmgpy.rmg	Automatic reaction mechanism generation
rmgpy.solver	Modeling reaction systems
rmgpy.species	Chemical species
rmgpy.statmech	Statistical mechanics models of molecular degrees of freedom
rmgpy.thermo	Thermodynamics models of chemical species
rmgpy.exceptions	Custom RMG exception classes