search

KineticPreProcessor / KPP

The KPP kinetic preprocessor is a software tool that assists the computer simulation of chemical kinetic systems
GNU General Public License v3.0
22 stars 11 forks source link

mass balance checker #3

Closed RolfSander closed 2 years ago

RolfSander commented 3 years ago

Create a mass balance checker that looks at the chemical reactions in the equation file.

RolfSander commented 2 years ago

In MECCA, we have a mass balance checker that uses the elemental composition of the species from #DEFVAR and #DEFFIX. My original idea was to generalize my script so that it can be used for other mechanisms as well, e.g. for GEOS-Chem. However, I now realized that the chemical species in GEOS-Chem all have "IGNORE" as their elemental composition, so the mass checker won't work. Thus, I'm putting this project on hold for now unless you plan to add the elemental composition to the GEOS-Chem species.

RolfSander commented 2 years ago

put on hold for now

Let me know if anyone is interested in this feature for GEOS-Chem...