Initialize private arrays with zero#81
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thfroitzheim merged 2 commits intogrimme-lab:mainfrom Apr 3, 2025
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #81 +/- ##
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- Coverage 69.79% 68.63% -1.17%
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Files 64 79 +15
Lines 8618 10099 +1481
Branches 2579 3261 +682
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+ Hits 6015 6931 +916
- Misses 782 844 +62
- Partials 1821 2324 +503 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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marvinfriede
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Apr 3, 2025
marvinfriede
approved these changes
Apr 3, 2025
Co-authored-by: Marvin Friede <51965259+marvinfriede@users.noreply.github.com>
This was referenced Apr 4, 2025
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In
add_coordination_number_derivsthe gradient and sigma can contain entries from previous contributions (inoutinstead ofout). Thus, we cannot use them to allocate the private arrays. I added a test to catch errors like this in the future.