9.1. HTML Chemkin Output

The script, generateChemkinHTML.py, will create a formatted HTML page displaying all of the species and reactions in a given Chemkin file. Thermo and kinetics parameters are also displayed, along with any comments if the Chemkin file was generated by RMG.

This script gives the same output as turning on generateOutputHTML in the options section of the RMG input file. However, having using that setting can increase the memory usage and computation time for large jobs, so this script provides an option for generating the HTML file after job completion.

To use this script, you need a Chemkin input file and an RMG species dictionary. The syntax is as follows:

python importChemkinLibrary.py [-h, -f] CHEMKIN DICTIONARY [OUTPUT]

Positional arguments:

CHEMKIN        The path to the Chemkin file
DICTIONARY     The path to the RMG dictionary file
OUTPUT         Location to save the output files, defaults to the current directory

Optional arguments:

-h, --help     Show help message and exit
-f, --foreign  Not an RMG generated Chemkin file

This method is also available to use with a web browser from the RMG website: Convert Chemkin File.