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Add an optional calculator that links Open Babel #1591

Merged
merged 10 commits into from
Feb 4, 2024
Merged

Add an optional calculator that links Open Babel #1591

merged 10 commits into from
Feb 4, 2024

Commits on Feb 3, 2024

  1. Add GPL'ed Open Babel forcefield code 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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  2. Use OB code if GPL plugins are used. Otherwise scripts & obmm 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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  3. Add obenergy code 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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  4. Merge branch 'master' into ob-gpl-calculator 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
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    ghutchis committed Feb 3, 2024
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  5. Small tweak 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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  6. Merge branch 'ob-gpl-calculator' of github.com:ghutchis/avogadrolibs … 

    …into ob-gpl-calculator

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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  7. Hack the include path 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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  8. Another try for Windows build 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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  9. Only add Open Babel if requested and found 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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  10. Fix crash 

    Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
    @ghutchis
    ghutchis committed Feb 3, 2024
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