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logsdail / carmm

Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
GNU General Public License v3.0
5 stars 17 forks source link

User-supplied optimiser in react aims and mace #142

Closed ikowalec closed 6 months ago

codecov[bot] commented 6 months ago

Codecov Report

Attention: 2 lines in your changes are missing coverage. Please review.

Comparison is base (867719a) 87.87% compared to head (45bb168) 87.90%.

Files Patch % Lines
carmm/run/workflows/react.py 85.71% 1 Missing :warning:
carmm/run/workflows/react_mace.py 83.33% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #142 +/- ## ========================================== + Coverage 87.87% 87.90% +0.02% ========================================== Files 76 76 Lines 3143 3149 +6 ========================================== + Hits 2762 2768 +6 Misses 381 381 ``` | [Flag](https://app.codecov.io/gh/logsdail/carmm/pull/142/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Andrew+Logsdail) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/logsdail/carmm/pull/142/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Andrew+Logsdail) | `87.90% <88.88%> (+0.02%)` | :arrow_up: | 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=Andrew+Logsdail#carryforward-flags-in-the-pull-request-comment) to find out more.

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