Releases: AirChem/F0AM
v4.3.0.1
v4.3
Changes relative to v4.2.2:
F0AM_ModelCore.m
- fixed a non-critical typo
InitializeChemistry.m
- added catch statements when evaluating Chemfiles to throw a warning if the mechanism is really large.
PlotRatesAvg.m
- Improved handling of averaging for model runs with variable time spacing (and squashed a bug in the process).
New/modified MCM submechanisms:
- C3H4_OH.m (propadiene + OH)
- HMHP_OH.m (hydroxymethyl hydrogen peroxide + OH)
- Slow_PAA_OH.m (updated PAA rate coefficient)
Halogens_MECCA.m
- Fixed CLNO2 photolysis frequency from J82 to Jn23.
- Added k_CLO_CLO rate constant.
- Fixed goofy 3-body reactions for C2H4 + BR/CL (removed O2 as explicit reactant)
New mechanism: CRACMM1. Thanks EPA.
ExampleSetup_FlightSS.m
- Added CRACMM1 option
v4.2.2
Released 20220812
Various bug fixes. Full description from ChangeLog:
Run2Init.m: Added code to overwrite model-derived InitConc with user-specified values (e.g. observations). Thanks Jessica Haskins!
F0AM_ModelCore.m: Fixed bug in checking of SolarParam convergence options. Thanks Sandra Roberts.
InitializeChemistry.m: added more reactions to list of exclusions for repetition warnings.
PlotReactivity.m: fixed bug when using "all" or "sum" options and added sorting for "all" option.
PlotRates.m: Added _grouped index outputs for tracing when like reactions are summed.
PlotRatesAvg.m: Modified averaging to use trapezoidal integration if model output is not evenly-spaced in time.
sumRates_ROX.m: In "Production" section, modified jHONO definition to exclude HONO + OH and added special treatment in case there is no net production (HONO is in equilbrium with OH + NO).
ParsePairs.m: Added some error checking to mitigate possible issues with incorrect input of name-value pairs.
DataCleaner.m: multiple bug fixes because someone never actually tested this function.
Extended calculation of Hybrid J-values from 15 to 22 km. Affected files:
- calc_HybridJtables.m
- HybridJtables.mat
- ActFlux_tables.mat
v4.2.1 with Zenodo DOI
Just like v4.2.1, but now with a Zenodo DOI attached (I hope). All future releases should have a DOI attached.
v4.2.1
Bug fixes to v4.2 and addition of sumRates tools.
- IntegrateJ.m: tweak to plotting
- Quantum_Yield_N2O5_NO3_NO_O.csv: deleted empty rows
- ExampleLightFlux.txt: changed negative fluxes to 0.
- PlotRates.m: fixed a bug that caused iRx_Prod output to be upside down.
- PlotReactivity.m: fixed colors for line plots
- SearchSMILES.m: Changed pattern for alkoxy radicals, added aryloxy radicals
- sumRates_ROx.m and sumRates_NOx.m: new tools to aggregate production and loss of radical groups. These are still experimental, so use with caution and verification.
- Duplicate release to attach a DOI.
v4.2
Some minor changes to various functions and photolysis data, and one major bug fix in PlotRates.
- PlotRates.m: Fixed bug in family reaction summation, so that family cross reactions are now properly accounted for. For example, LROx(CH3O2 + HO2) = 2*rate(CH3O2 + HO2) = LCH3O2 + LHO2.
- Cross_Section_4_methyl_2_nitrophenol.csv: replaced negative values with 0. Thanks to Eleanora Puppolola.
- Cross_Section_PAN.csv: removed some rows with missing data.
- IntegrateJ.m: Changed error messages to warnings (still throws error if nan/neg)
Added filename text to plots
Added warnings for negative LF/QY/CS and removed a line that corrected negative LF to 0. - InputReplictate.m: Added adjust timestamp option
- All Plotting functions: added input/output of parent figure axis handles.
- PlotReactivity.m: Added colormap input options.
new FAC2F0AM.m, bug fixes in PlotRates
Title says it all. The new FAC2F0AM.m version should work with older and newer MCM .fac files.