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Added Boron into element and atom types #2383

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Added Boron into element and atom types #2383

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Commits on May 8, 2024

  1. Added Boron into element and atom types

    @ssun30
    ssun30 committed May 8, 2024
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  2. Added missing entries for Val3 atomtype.

    @ssun30
    ssun30 committed May 8, 2024
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  3. Include Boron in Chemkin

    @ssun30
    ssun30 committed May 8, 2024
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  4. added is_boron function to Atom classs

    @ssun30
    ssun30 committed May 8, 2024
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  5. added test_is_boron for moleculeTest

    @ssun30
    ssun30 committed May 8, 2024
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  6. added is_boron to GroupAtom

    @ssun30
    ssun30 committed May 8, 2024
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  7. Added boron to default lone pairs list

    @ssun30
    ssun30 committed May 8, 2024
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  8. Added Boron to simple_regularization

    @ssun30
    ssun30 committed May 8, 2024
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  9. Added boron to Rx atom types

    @ssun30
    ssun30 committed May 8, 2024
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  10. Extra error logging in HBI thermo estimation.

    @rwest @ssun30
    rwest authored and ssun30 committed May 8, 2024
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