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adding resonance for adsorbates #2511

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adding resonance for adsorbates #2511

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Commits on Sep 6, 2023

  1. adding resonance for adsorbates

    @bjkreitz
    bjkreitz committed Sep 6, 2023
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  2. incorporate feedback

    @bjkreitz
    bjkreitz committed Sep 6, 2023
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  3. add multidentate check to fragment

    @bjkreitz
    bjkreitz committed Sep 6, 2023
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  4. add resonance to get_thermo_for_surface_species

    @bjkreitz
    bjkreitz committed Sep 6, 2023
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  5. fix pathfinder and get_thermo bug

    @bjkreitz
    bjkreitz committed Sep 6, 2023
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  6. add tests and fix pathfinderTest

    @bjkreitz
    bjkreitz committed Sep 6, 2023
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Commits on Mar 25, 2024

  1. include N

    @bjkreitz
    bjkreitz committed Mar 25, 2024
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Commits on Jul 11, 2024

  1. Merge branch 'main' into adsorbate_resonance

    @bjkreitz
    bjkreitz authored Jul 11, 2024
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  2. undo messed up merge-commit

    @bjkreitz
    bjkreitz committed Jul 11, 2024
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Commits on Jul 17, 2024

  1. incorporate review feedback

    @bjkreitz
    bjkreitz committed Jul 17, 2024
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