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Added a Linear TS search job adapter#695

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alongd wants to merge 19 commits intomainReactionMechanismGenerator/ARC:mainfrom linear_tsReactionMechanismGenerator/ARC:linear_tsCopy head branch name to clipboard

+1,183-104

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Commits on May 15, 2024

• Minor: Style modification in rmgdb tests

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  0088363

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• Minor: Style modifications to AM driver

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  746a709

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• Extracted two specialized functions out of map_two_species()

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• Added Reaction.is_unimolecular()

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• Tests: Reaction.is_unimolecular()

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• Added an atom_order arg to xyz_to_zmat()

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• Tests: xyz_to_zmat()

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• Added 'linear' to ts_adapters_by_rmg_family

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• Added check_ordered_zmats()

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• Tests: check_ordered_zmats()

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• Added linear to JobEnum

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• Added the Linear TS search job adapter

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• Tests: Linear TS Job Adapter

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Commits on May 26, 2024

• Added order_xyz_by_atom_map to converter

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• Tests: converter order_xyz_by_atom_map()

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• Added update_zmat_by_xyz() to zmat

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• Tests: zmat update_zmat_by_xyz()

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Commits on May 28, 2024

• f! linear

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• f! tsts

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