9.2. Model Comparison

The script diffModels compares two RMG generated models to determine their differences. To use this method you will need the chemkin and species dictionary outputs from RMG. These can be found in the chemkin folder from the directory of the input.py file used for the RMG run. The syntax is as follows:

python diffModels.py CHEMKIN1 SPECIESDICT1 --thermo1 THERMO1 CHEMKIN2 SPECIESDICT2 --thermo2 THERMO2 --web

where CHEMKIN represents the chemkin input file (chem00XX.inp), SPECIESDICT is the species diectionary from RMG (species_dictionary.txt) and the optional --thermo flag can be used to add separate thermo CHEMKIN files THERMO. The numbers (1 and 2) represent which model to each file is from. The optional --web flag is used for running this script through the RMG-website.

Running the script without any optional flags looks like:


Output of each comparison is printed, and the method then produces a html file (diff.html) for easy viewing of the comparison.

This method is also available to use with a web browser from the RMG website: Model Comparison Tool.