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Minor improvements for generation of dataset of reaction profiles. #359

Merged
merged 11 commits into from
Nov 5, 2024
Merged

Minor improvements for generation of dataset of reaction profiles. #359

merged 11 commits into from
Nov 5, 2024

Commits on Oct 17, 2024

  1. tight criteria

    @javialra97
    javialra97 committed Oct 17, 2024
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  2. csv output

    @javialra97
    javialra97 committed Oct 17, 2024
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Commits on Oct 18, 2024

  1. single point refinement bool

    @javialra97
    javialra97 committed Oct 18, 2024
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  2. bug duartegroup#358

    @javialra97
    javialra97 committed Oct 18, 2024
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Commits on Oct 29, 2024

  1. Revert "csv output" 

    This reverts commit 1f4c6e0.
    @javialra97
    javialra97 committed Oct 29, 2024
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  2. Revert "tight criteria" 

    This reverts commit 675b82e.
    @javialra97
    javialra97 committed Oct 29, 2024
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  3. template

    @t-young31 @javialra97
    t-young31 authored and javialra97 committed Oct 29, 2024
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  4. update changelog and readme

    @javialra97
    javialra97 committed Oct 29, 2024
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  5. parentheses

    @javialra97
    javialra97 committed Oct 29, 2024
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Commits on Oct 30, 2024

  1. Merge branch 'v1.4.5' into dataset_rxn_profiles

    @javialra97
    javialra97 authored Oct 30, 2024
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Commits on Nov 5, 2024

  1. provisional patch

    @javialra97
    javialra97 committed Nov 5, 2024
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