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PR to fix (python) get_spacegroup_type_from_symmetry#592

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atztogo merged 2 commits intospglib:developfrom
atztogo:fix-py-get_spacegroup_type_from_symmetry
Jun 21, 2025
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PR to fix (python) get_spacegroup_type_from_symmetry#592
atztogo merged 2 commits intospglib:developfrom
atztogo:fix-py-get_spacegroup_type_from_symmetry

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@atztogo atztogo commented Jun 21, 2025

This PR will fix the bug in the python interface of get_spacegroup_type_from_symmetry. The bug is that lattice is not transposed.

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codecov bot commented Jun 21, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 74.48%. Comparing base (e95d7a4) to head (33e13bc).
⚠️ Report is 21 commits behind head on develop.

Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #592      +/-   ##
===========================================
+ Coverage    74.46%   74.48%   +0.01%     
===========================================
  Files           26       26              
  Lines         7887     7888       +1     
  Branches      1638     1638              
===========================================
+ Hits          5873     5875       +2     
- Misses        1532     1534       +2     
+ Partials       482      479       -3     
Flag Coverage Δ
c_api 69.42% <ø> (ø)
fortran_api 52.91% <ø> (ø)
python_api 67.34% <ø> (+0.14%) ⬆️
unit_tests 11.69% <ø> (ø)

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atztogo commented Jun 21, 2025

Comment: Theoretically it should be unnecessary to rely on basis vectors, but currently it is due to the specific implementation of space group type search in spglib.

@atztogo atztogo merged commit 31279cc into spglib:develop Jun 21, 2025
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@atztogo atztogo deleted the fix-py-get_spacegroup_type_from_symmetry branch June 21, 2025 07:56
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