Move coordination number to mctc-lib#283
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marvinfriede merged 13 commits intodftd4:mainfrom Apr 11, 2025
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #283 +/- ##
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+ Coverage 41.13% 56.78% +15.64%
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Files 33 50 +17
Lines 2966 4357 +1391
Branches 1347 1590 +243
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+ Hits 1220 2474 +1254
+ Misses 1005 846 -159
- Partials 741 1037 +296 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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awvwgk
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Mar 19, 2025
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This should now be ready. I added back the routines for the API and expanded the testing a bit to improve the coverage. |
marvinfriede
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Apr 1, 2025
awvwgk
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Apr 1, 2025
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awvwgk
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Looks good to me now.
Let's merge this once we have a new mctc-lib release which we can refer to. I would prefer to not merge this with depending on the latest git commit.
marvinfriede
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Apr 4, 2025
marvinfriede
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Apr 4, 2025
marvinfriede
approved these changes
Apr 11, 2025
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PR to move the coordination number to the mctc-lib (see PR #71 there). This avoids duplicated code in all our projects and makes the addition of new coordination numbers simpler. The full functionality and all tests were moved to mctc-lib.
This PR starts as a draft pointing to the mctc-lib branch until it is merged.