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ReactionMechanismGenerator / ARC Public

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Correct over-squaring in internal coordinate objective function for adding an atom to XYZ#802

Merged

alongd merged 2 commits intomainReactionMechanismGenerator/ARC:mainfrom

add_atom_fixReactionMechanismGenerator/ARC:add_atom_fixCopy head branch name to clipboard

Dec 24, 2025

Conversation Commits2 (2)Checks Files changed

Merged

Correct over-squaring in internal coordinate objective function for adding an atom to XYZ#802
alongd merged 2 commits intomainfrom
add_atom_fix

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Commits on Dec 3, 2025

Correct over-squaring in internal coordinate objective function
alongd
committed
Tests: Updated converter tests for adding a new atom
alongd
committed

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