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ReactionMechanismGenerator / ARC Public

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Added combininig xyz's based on internal coordinates#799

Open

kfir4444 wants to merge 6 commits intomainReactionMechanismGenerator/ARC:mainfrom

combine_spc_ready_for_testReactionMechanismGenerator/ARC:combine_spc_ready_for_testCopy head branch name to clipboard

Conversation Commits6 (6)Checks Files changed

Open

Added combininig xyz's based on internal coordinates#799
kfir4444 wants to merge 6 commits intomainfrom
combine_spc_ready_for_test

Commits

Commits on Sep 17, 2025

Added ic_params classes
kfir4444
committed
test: ic_params
kfir4444
committed
Added add_two_xyzs logic
kfir4444
committed
Test: updating zmat and add combining two xyz
kfir4444
committed
Added check_zmat_vs_coords
kfir4444
committed
test: check_zmat_vs_coords
kfir4444
committed

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