ReactionMechanismGenerator / ARC

ARC - Automatic Rate Calculator
https://reactionmechanismgenerator.github.io/ARC/index.html
MIT License
42 stars 21 forks source link

Change ase version #753

Closed kfir4444 closed 4 days ago

kfir4444 commented 4 days ago

ase update requires a new cclib.

codecov[bot] commented 4 days ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 73.67%. Comparing base (047f656) to head (3092840).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #753 +/- ## ======================================= Coverage 73.67% 73.67% ======================================= Files 99 99 Lines 27406 27406 Branches 5765 5765 ======================================= Hits 20190 20190 Misses 5768 5768 Partials 1448 1448 ``` | [Flag](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/753/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/753/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `73.67% <ø> (ø)` | | 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=ReactionMechanismGenerator#carryforward-flags-in-the-pull-request-comment) to find out more.

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