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Using libxc with FHI-aims requires an additional keyword #4254

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merged 2 commits into from
Jan 17, 2025

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tpurcell90
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automatically add the override warning when using libxc

Summary

Major changes:

  • fix 1: libxc calls should automatically override warning

Checklist

  • Google format doc strings added. Check with ruff.
  • Type annotations included. Check with mypy.
  • Tests added for new features/fixes.
  • If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

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askoufis Adam Skoufis
automatically add the override warning when using libxc
@shyuep shyuep enabled auto-merge (squash) January 17, 2025 16:54

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askoufis Adam Skoufis
@shyuep shyuep merged commit 663876f into materialsproject:master Jan 17, 2025
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2 participants