duartegroup / autodE

automated reaction profile generation
https://duartegroup.github.io/autodE/
MIT License
161 stars 49 forks source link

V1.4.3 #339

Closed t-young31 closed 1 month ago

t-young31 commented 2 months ago

Anything else you want to include in this release @shoubhikraj ?

codecov[bot] commented 2 months ago

Codecov Report

Attention: Patch coverage is 99.44290% with 4 lines in your changes are missing coverage. Please review.

Project coverage is 97.41%. Comparing base (034743c) to head (c3359f5).

Files Patch % Lines
autode/bracket/ieip.py 91.42% 3 Missing :warning:
autode/opt/optimisers/utils.py 98.59% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #339 +/- ## ========================================== - Coverage 97.44% 97.41% -0.03% ========================================== Files 209 202 -7 Lines 23747 23210 -537 ========================================== - Hits 23141 22611 -530 + Misses 606 599 -7 ``` | [Flag](https://app.codecov.io/gh/duartegroup/autodE/pull/339/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=duartegroup) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/duartegroup/autodE/pull/339/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=duartegroup) | `97.41% <99.44%> (-0.03%)` | :arrow_down: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=duartegroup#carryforward-flags-in-the-pull-request-comment) to find out more.

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shoubhikraj commented 2 months ago

@t-young31 I was thinking of fixing some part of #301 but it will take me a few days to write the PR.

shoubhikraj commented 1 month ago

@t-young31 Feel free to merge this when you want, I don't have anything more to add.