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add atom correction energies for xtb level of theory#721

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JacksonBurns merged 1 commit into
ReactionMechanismGenerator:mainfrom
sevyharris:xtb_atom_corr
Jun 8, 2026
Merged

add atom correction energies for xtb level of theory#721
JacksonBurns merged 1 commit into
ReactionMechanismGenerator:mainfrom
sevyharris:xtb_atom_corr

add atom correction energies for xtb level of theory

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build-and-test-linux
succeeded Jun 7, 2026 in 1h 9m 6s