Modify node regularization in kinetic families. #2856

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Nora-Khalil wants to merge 9 commits intoReactionMechanismGenerator:mainfrom

Nora-Khalil:fixing_node_regularization

Commits on Apr 1, 2026

first attempt at fixing regularization

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cleaned up and commented

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more clean up

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pulling actual atomtypes from reactions in the complimentary node instead of using their atom symbol to make an atomtype

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Scrapping previous changes/attempts to fix bug. Starting fix that allows problematic nodes to generate atomExt extensions that aren't node splitting if the optimization dimension of the regularizat…

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handling leaf nodes. Running leaf nodes through get_extension_edge so regularization info is passed (but not actually extending them).

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cleaning up print statements

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Prevents clearing of regularization dimension during each step of cascade algorithm. Allows optimization dimensions of reg_dim_atm dictionary to clear (first list in dictionary), but preserves the …

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forgot to change 'self' to 'entry.item'

Nora Khalil
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