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ReactionMechanismGenerator / ARC Public

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Fork 24
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Add sp_composite focal-point/CBS single-point protocols#878

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alongd wants to merge 8 commits intomainReactionMechanismGenerator/ARC:mainfrom

sp_compositeReactionMechanismGenerator/ARC:sp_compositeCopy head branch name to clipboard

Conversation Commits8 (8)Checks Files changed

Open

Add sp_composite focal-point/CBS single-point protocols#878
alongd wants to merge 8 commits intomainfrom
sp_composite

Commits

Commits on Apr 27, 2026

Relocate Level into its own arc/level/ package
alongd
committed
Add sp_composite data model under arc/level/
alongd
committed
Wire sp_composite end-to-end: main, Scheduler, species, Arkane
alongd
committed
Docs: sp_composite user guide, examples, and parseability tests
alongd
committed
MRCC route in Molpro
alongd
committed

Commits on Apr 28, 2026

Fix HEAT preset δ_CV/δ_rel emission + Level structural equality
alongd
committed
Drop misleading "ARC ignores user-specified options" warning
alongd
committed
TMP
alongd
committed

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