mrharper
commented
13 years ago Bug fix: Unreactive and/or ConstantConcentration flags for species
If a user defined a species as "Unreactive" or having "ConstantConcentration," RMG would add multiple instances of the same species to the speciesStatus list. This is the list RMG uses to communicate with the ODE solver, so indexing is critical.
For example, CH4 (mol/cm3) 1 ConstantConcentration 1 C 0
RMG would add the "core" species "CH4" to the speciesStatus list with zero flux and "1" concentration. Upon reading the ConstantConcentration flag, RMG would do the exact same thing, thus the additional species, and incorrect indexing when passing information to the ODE solver.
Closed by bfd23e32400142cd90bd3b0c07b3a71521c2714e
ConstantConcentration keyword results in zero concentration and flux for the species defined last in the InitialStatus section of the condition file. This problem does not seem to occur if the species with the CC flag is defined last. Greg thinks that this might have something to do with indexing when we write the ODE solver input file.