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Update how summary magnetic ordering is determined for electronic structure docs #1171

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merged 2 commits into from
Jan 9, 2025

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@tsmathis tsmathis commented Jan 9, 2025

determining the magnetic ordering for an electronic structure doc using the structures from either the bandstructure or dos task documents has been causing a discrepancy between the magnetic ordering determined by the magnetism builder, which uses the structure from the blessed task for a material to determine magnetic ordering.

callers of the from_bsdos function should pass the blessed structure for the material explicitly through the meta_strucutre kwarg

…ided meta_structure

pass structure from blessed task when calling function for uniformity
with other builders -> materilas, summary, magnetism
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codecov-commenter commented Jan 9, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 90.19%. Comparing base (943574d) to head (020486b).
Report is 2 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1171      +/-   ##
==========================================
- Coverage   90.32%   90.19%   -0.14%     
==========================================
  Files         147      147              
  Lines       14509    14508       -1     
==========================================
- Hits        13105    13085      -20     
- Misses       1404     1423      +19     

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@tsmathis tsmathis force-pushed the elec-struct-mag-ordering branch from 1a17096 to 020486b Compare January 9, 2025 21:34
@tsmathis tsmathis merged commit a294022 into main Jan 9, 2025
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@tsmathis tsmathis deleted the elec-struct-mag-ordering branch January 9, 2025 22:07
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2 participants