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allowed atoms in tbtnc, and enabled PDOS of ADOS in viz #871

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merged 1 commit into from
Nov 13, 2024
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@zerothi zerothi commented Nov 13, 2024

Enables plotting electrode PDOS from tbt.nc siles.

Simply do fdf.plot.pdos(source="tbtnc", data_kwargs=dict(elec=0).

  • Closes #
  • Added tests for new/changed functions?
  • Documentation for functionality in docs/
  • Changes documented in CHANGELOG.md

Only need to wait for Pol fixes for the kwargs passing.

Signed-off-by: Nick Papior <nickpapior@gmail.com>
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codecov bot commented Nov 13, 2024

Codecov Report

Attention: Patch coverage is 46.66667% with 8 lines in your changes missing coverage. Please review.

Project coverage is 86.98%. Comparing base (04c70d1) to head (c7dd064).
Report is 2 commits behind head on main.

Files with missing lines Patch % Lines
src/sisl/viz/data/pdos.py 0.00% 8 Missing ⚠️
Additional details and impacted files
@@           Coverage Diff           @@
##             main     #871   +/-   ##
=======================================
  Coverage   86.97%   86.98%           
=======================================
  Files         403      403           
  Lines       52555    52559    +4     
=======================================
+ Hits        45712    45716    +4     
  Misses       6843     6843           

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@zerothi zerothi merged commit b5cabfa into main Nov 13, 2024
16 of 17 checks passed
@zerothi zerothi deleted the viz-tbt-ados branch November 13, 2024 21:26
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