codecov[bot]
commented
6 months ago Codecov Report
Attention: 11 lines in your changes are missing coverage. Please review.
Comparison is base (
e62ee6a) 48.07% compared to head (a1aed48) 49.37%.
| Files | Patch % | Lines |
|---|---|---|
| rdmc/external/logparser/base.py | 8.33% | 10 Missing and 1 partial :warning: |
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #80 +/- ## ========================================== + Coverage 48.07% 49.37% +1.30% ========================================== Files 39 39 Lines 4716 4721 +5 Branches 1232 1234 +2 ========================================== + Hits 2267 2331 +64 + Misses 2347 2255 -92 - Partials 102 135 +33 ```:umbrella: View full report in Codecov by Sentry.
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Fix a bug related to parsing IRC jobs.
An example of the job is attached under /test/data The job uses the G16's default IRC algorithm, which involves a correction step. The job failed after a few steps, and the backend cclib parsed one more energy value than the geometries, causing IndexError in the Logparse. This PR aims to solve the issue.