Symmetry: use only point group symmetry #70
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The point symmetry group should be used instead of the space group, here by avoiding fractional translations.
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #70 +/- ##
==========================================
- Coverage 87.44% 87.31% -0.14%
==========================================
Files 26 24 -2
Lines 2286 2262 -24
==========================================
- Hits 1999 1975 -24
Misses 287 287
Flags with carried forward coverage won't be shown. Click here to find out more. ☔ View full report in Codecov by Sentry. |
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The point symmetry group should be used instead of the space group, here by avoiding fractional translations.