Normalize ZnSymmetry outputs into valid qnums#768
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Additional details and impacted files@@ Coverage Diff @@
## master #768 +/- ##
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+ Coverage 35.47% 35.49% +0.02%
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Files 214 214
Lines 33007 32998 -9
Branches 13130 13132 +2
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+ Hits 11709 11714 +5
+ Misses 19376 19361 -15
- Partials 1922 1923 +1 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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I can't see anything obviously wrong with the PR, but just a question of the semantic meaning of a Zn quantum number. The current code allows numbers outside the range |
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@ianmccul The current codebase semantics are mixed here: |
Fixes #766.
Summary
ZnSymmetryscalar and vectorcombine_ruleoutputs into[0, n)reverse_ruleoutput so public results satisfycheck_qnum-1forZ2and other invalid values on reverseSymmetry::Zn(2)covering both combine and reverse pathsVerification
./build/openblas-cpu/tests/test_main --gtest_filter="Bond.ZnSymmetryNormalizesPublicRules"./build/openblas-cpu/tests/test_main --gtest_filter="Bond.InitWithQnum_v2:Bond.CombindBondSymm_v2:Bond.ZnSymmetryNormalizesPublicRules"