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The point symmetry group should be used instead of the space group, here by avoiding fractional translations.
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #70 +/- ##
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- Coverage 87.44% 87.31% -0.14%
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Files 26 24 -2
Lines 2286 2262 -24
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- Hits 1999 1975 -24
Misses 287 287
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The point symmetry group should be used instead of the space group, here by avoiding fractional translations.