codecov[bot]
commented
7 months ago Codecov Report
Attention: 16 lines in your changes are missing coverage. Please review.
Comparison is base (
26b200b) 73.66% compared to head (e407531) 73.68%.
| Files | Patch % | Lines |
|---|---|---|
| arc/job/trsh.py | 68.75% | 6 Missing and 4 partials :warning: |
| arc/job/adapters/gaussian.py | 57.14% | 5 Missing and 1 partial :warning: |
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #713 +/- ## ========================================== + Coverage 73.66% 73.68% +0.01% ========================================== Files 99 99 Lines 26866 26903 +37 Branches 5593 5604 +11 ========================================== + Hits 19792 19824 +32 - Misses 5680 5685 +5 Partials 1394 1394 ``` | [Flag](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/713/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/713/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `73.68% <70.37%> (+0.01%)` | :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=ReactionMechanismGenerator#carryforward-flags-in-the-pull-request-comment) to find out more.:umbrella: View full report in Codecov by Sentry.
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calvinp0
@Lilachn91 pointed out that
nosymmshould not be part of the opt or scf combination of parameters but be its own parameter. This has been implemented. Furthermore, at times we end up creating an input file that may haveopt=([param1])andopt=([param2])when rather they should be combined into oneopt=([param1,param2])