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Add Terminator and Chapman configurations for chemistry #150

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mattldawson opened this issue Nov 6, 2024 · 0 comments
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Add Terminator and Chapman configurations for chemistry #150

mattldawson opened this issue Nov 6, 2024 · 0 comments
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MICM, TUV-x in CA...

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Add configurations for the simple Terminator and Chapman chemical mechanisms, including for MICM and TUV-x. (Issue transferred from NCAR/musica#123)

Terminator chemistry is a simple mechanism that will be used to demonstrate MICM and TUV-x usage in the MUSICA library. The mechanisms is described here: https://github.com/ESCOMP/CAM/blob/ab476f9b7345cbefdc4cf67ff17f0fe85d8c7387/src/chemistry/pp_terminator/chem_mech.doc#L1-L41

Chapman chemistry is an only slightly more complex mechanism that describes stratospheric ozone. The MICM configuration for Chapman chemistry is available as a MusicBox Example (https://musicbox.acom.ucar.edu/getting_started)

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Ideas

  • It might make sense to use a rate constant parameterization that is actually based on the radiation field to demonstrate TUV-x capabilities, but this will not exactly match the CAM-Chem results
@mattldawson mattldawson self-assigned this Nov 6, 2024
@mattldawson mattldawson added this to the MICM, TUV-x in CAM-SIMA milestone Nov 6, 2024
This was referenced Nov 6, 2024
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mattldawson added a commit that referenced this issue Nov 14, 2024
@mattldawson
Add Chapman and Terminator configurations for chemistry (#151)
0ddf4d2 
Adds configurations for Terminator and Chapman chemistry and basic
integration tests.

This includes some data files needed for TUV-x to calculate photolysis
rate constants for these mechanisms, but I wasn't sure if this is the
best place for them. I'm happy to remove the configuration data from
this PR if there is a better place to keep them.

closes #150

Also:
- Adds calculation of photolysis rate constants from TUV-x
- Maps TUV-x rate constants to MICM rate parameters
- Removes some array copying using updated MUSICA functions that accept
pointers to Fortran arrays
- Sets up a gitignore file for the repo
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