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Split gather #502

Merged
merged 13 commits into from
Aug 2, 2023
Merged

Split gather #502

merged 13 commits into from
Aug 2, 2023

Commits on Jul 24, 2023

  1. rough draft refactor gather

    @dwhswenson
    dwhswenson committed Jul 24, 2023
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  2. version that seems to work 

    now to update to make output cleaner
    @dwhswenson
    dwhswenson committed Jul 24, 2023
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  3. improve estimate/uncertainty rounding/reporting

    @dwhswenson
    dwhswenson committed Jul 24, 2023
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  4. update to simplify output tables

    @dwhswenson
    dwhswenson committed Jul 24, 2023
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Commits on Jul 27, 2023

  1. use 1 digit in uncertainty; leg => legs

    @dwhswenson
    dwhswenson committed Jul 27, 2023
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Commits on Jul 28, 2023

  1. Apply suggestions from code review 

    Co-authored-by: Irfan Alibay <[email protected]>
    @dwhswenson @IAlibay
    dwhswenson and IAlibay authored Jul 28, 2023
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Commits on Jul 31, 2023

  1. Tuple => tuple

    @dwhswenson
    dwhswenson committed Jul 31, 2023
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  2. Merge branch 'split-gather' of github.com:OpenFreeEnergy/openfe into … 

    …split-gather
    @dwhswenson
    dwhswenson committed Jul 31, 2023
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Commits on Aug 1, 2023

  1. add tests for uncertainty calc stuff

    @dwhswenson
    dwhswenson committed Aug 1, 2023
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  2. Add HyphenAwareChoice

    @dwhswenson
    dwhswenson committed Aug 1, 2023
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  3. Merge branch 'main' of github.com:OpenFreeEnergy/openfe into split-ga… 

    …ther
    @dwhswenson
    dwhswenson committed Aug 1, 2023
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  4. clean up a bit of gather

    @dwhswenson
    dwhswenson committed Aug 1, 2023
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  5. Merge branch 'MLE_on_gather' of github.com:OpenFreeEnergy/openfe into… 

    … split-gather
    @dwhswenson
    dwhswenson committed Aug 1, 2023
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