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Develop 245 terminator #314

Merged
merged 5 commits into from
Oct 18, 2023
Merged

Develop 245 terminator #314

merged 5 commits into from
Oct 18, 2023

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mattldawson
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@mattldawson mattldawson commented Oct 13, 2023

closes #245

Includes the analytical solution from CAM-Chem in the test for the Terminator configuration.

Also, I updated slightly the logic around min/max/initial solver time steps to avoid changing solver parameters during the solve and to allow users to be able to specify these (which I did in the terminator test to get closer results to the analytical solution).

And, I added the ability to include species whose concentrations are not solved for, but are parameterized on environmental conditions. At first I did this because I mistakenly thought the third-body species "M" was included in the Terminator configuration. I left this option in the PR because it will be useful for other mechanisms that include "M" and for setting constant values for species like O2 and N2

@K20shores
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@mattldawson should we also update the configuration parser to be able to make the parameterized species?

@mattldawson
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@mattldawson should we also update the configuration parser to be able to make the parameterized species?

Yes, I think that makes sense, but I'm wondering how we should go about this, because the open-atmos schema doesn't include this option currently. I feel like this is more of a solver option than a description of the chemical system, so maybe we do a MICM-specific addition to the configuration format?

@K20shores
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@mattldawson should we also update the configuration parser to be able to make the parameterized species?

Yes, I think that makes sense, but I'm wondering how we should go about this, because the open-atmos schema doesn't include this option currently. I feel like this is more of a solver option than a description of the chemical system, so maybe we do a MICM-specific addition to the configuration format?

This feels like something we should add to the open atmos format though. It feels useful

@K20shores K20shores merged commit f8a33c4 into main Oct 18, 2023
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@K20shores K20shores deleted the develop-245-terminator branch October 18, 2023 22:08
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Create Terminator chemistry configuration and test
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