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set condition for update label if SOC if False #940

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merged 5 commits into from
Nov 27, 2024

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AndresOrtegaGuerrero
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@AndresOrtegaGuerrero AndresOrtegaGuerrero commented Nov 21, 2024

This PR addresses a bug related to the updating of labels for SOC (Spin-Orbit Coupling) calculations. The logic has been refined to ensure that the update occurs only when the SOC calculation parameter is explicitly set to False.
It solves , #944

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codecov bot commented Nov 21, 2024

Codecov Report

Attention: Patch coverage is 0% with 4 lines in your changes missing coverage. Please review.

Project coverage is 68.38%. Comparing base (2fd8c91) to head (08f4747).
Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
src/aiidalab_qe/common/bands_pdos/utils.py 0.00% 4 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #940      +/-   ##
==========================================
- Coverage   68.40%   68.38%   -0.03%     
==========================================
  Files         110      110              
  Lines        6096     6098       +2     
==========================================
  Hits         4170     4170              
- Misses       1926     1928       +2     
Flag Coverage Δ
python-3.11 68.38% <0.00%> (-0.03%) ⬇️
python-3.9 68.38% <0.00%> (-0.04%) ⬇️

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Apologies for the delay @AndresOrtegaGuerrero. LGTM! Thanks for the fix 🙂

One general comment is the use of "band" instead of "bands", which we do this in many places, e.g. BandPdosPlotly. I suggest we switch to "bands" across the board, if possible, unless we speak of a single band. TBD 🙂

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AndresOrtegaGuerrero commented Nov 27, 2024

Apologies for the delay @AndresOrtegaGuerrero. LGTM! Thanks for the fix 🙂

One general comment is the use of "band" instead of "bands", which we do this in many places, e.g. BandPdosPlotly. I suggest we switch to "bands" across the board, if possible, unless we speak of a single band. TBD 🙂

yeah , I agree, in the other PR i will change for BandsPdosPlotly ,

but outputs.band_parameters if from aiida-quantumespresso plugin (other repo XD, I was also like "wait why isn't bands" :D )

@AndresOrtegaGuerrero AndresOrtegaGuerrero merged commit ae520ea into main Nov 27, 2024
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@AndresOrtegaGuerrero AndresOrtegaGuerrero deleted the fix_spin_orbit_bandspdos branch November 27, 2024 08:01
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Bands keep loading for Au with SOC when "angular" selected in PDOS
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