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@lan496 lan496 commented Jun 6, 2023

This PR explicitly documents the breaking change of get_symmetry for a structure with zero magmoms between spglib v1 and v2.
Although this point is mentioned in #150 (comment), it will be more decent to describe it in the document.
Also, this behavior (unexpectedly) seems to cause issues in other packages: for example, materialsproject/pymatgen#2725 and materialsproject/pymatgen#3006.

CC: @atztogo

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codecov-commenter commented Jun 6, 2023

Codecov Report

Patch and project coverage have no change.

Comparison is base (017e5fe) 85.92% compared to head (25c9998) 85.92%.

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Additional details and impacted files
@@           Coverage Diff            @@
##           develop     #283   +/-   ##
========================================
  Coverage    85.92%   85.92%           
========================================
  Files           23       23           
  Lines         6081     6081           
========================================
  Hits          5225     5225           
  Misses         856      856           
Flag Coverage Δ
c_api 74.21% <ø> (ø)
fortran_api 37.38% <ø> (ø)
python_api 82.86% <ø> (ø)

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@lan496 lan496 merged commit 920b2c9 into spglib:develop Jun 6, 2023
@lan496 lan496 deleted the clar-type2-workaround branch June 6, 2023 12:02
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2 participants