Code to convert RMG mechanism files into KMC input files Planned KMC Codes to Support Monte Coffee Zacros SPPARKS TODO Cantera mechanism reader Chemkin mechanism reader Monte Coffee writer Zacros writer identify favored binding sites - use RMG species dictionary to identify which atom is bound to the surface? specify multiple surface facets (to start, assume fcc(111) facet) Usage Create a directory with your mechanism file python rmg2kmc.py input_file.yaml