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Make sure that reaction families appear in reccomended.py #657

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alongd opened this issue Jul 2, 2024 · 0 comments
Open

Make sure that reaction families appear in reccomended.py #657

alongd opened this issue Jul 2, 2024 · 0 comments

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@alongd
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alongd commented Jul 2, 2024

Not all families in the RMG-db appear in the recommended.py file.
I'm not sure whether this is on purpose or not, but it is worthwhile to check.
For example, the H2_Loss family seems very reasonable and beneficial for models, yet it is never used by RMG unless explicitly asked for by the user in the input file.
I think it should be added to default and ch_pyrolysis. It is also a good idea to go over all of our families and see that they are included in recommended.py appropriately.

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