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6.1 KIDA utility

Warning: now superseded by DOCMAKE

A nice utility is included in Krome to consistently convert the KIDA (reaction database) format as downloaded from their website (http://kida.obs.u-bordeaux1.fr/, requires login) to a format readable by KROME. You can use it to select different reaction rates based on elements/physical processes and other options. The options can be modified in the preamble of tools/subkida.py file. Note that this utility is for testing purposes only; to produce a correct reaction network the reaction rates should be carefully checked. Unfortunately, the probability of making some mistake is quite high...

The python script has the following selection criteria:

#list: atoms to avoid, e.g. avoid = ["C","O"] skips carbon-based and oxygen-based species.
# when empty skips no atoms. "e" is the electron.
avoid = []

#list: atoms to use. e.g. use = ["C","O"] uses only carbon-based and oxygen-based species.
# when empty uses all the atoms. "e" is the electron.
use = []

#integer: maximum atoms per molecule
maxatoms = 999

#boolean: use cations (+)
ions = True

#boolean: use anions (-)
anions = True

#float: minimum and maximum temperature
Tmin = 1.
Tmax = 99999.

#list: species to be excluded, e.g. exclude = ["CO","C"] exclude CO and Carbon.
# when empty include all the species
exclude = []

#list: exclude species that contain a specific case-sensitive string. 
# e.g. exludein = ["l-"] excludes linear molecules. can be empty
excludein = [] 

#boolean: include multiple reactions (same reactants and same products).
# this is useful to skip coefficient from different references.
# very dangerous since it employs only the first reaction found.
multiple = False

Updated