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@DanielYang59 DanielYang59 commented Sep 11, 2024

Summary

  • Fix branch directory check in io.vasp.outputs.get_band_structure_from_vasp_multiple_branches, to fix get_band_structure_from_vasp_multiple_branches #4060
  • Improve unit test (waiting for data, I don't have experience with "VASP multi-branch bandstructure calculation")

@janosh janosh added fix Bug fix PRs electronic structure Electronic structure functionality related labels Sep 11, 2024
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that was super fast! thanks a lot @DanielYang59, esp. for the new unit test! 👍

@DanielYang59 DanielYang59 marked this pull request as ready for review September 26, 2024 10:56
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DanielYang59 commented Mar 28, 2025

@shyuep Perhaps you could review this as well?

I tried to add a unit test but I don't have any real test file for "VASP multi-branch bandstructure calculation" and had to create a dummy one instead, so I guess this is as far as I could get :)

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@shyuep Can you review this please? I guess this has been lost :)

@mkhorton mkhorton enabled auto-merge (squash) June 4, 2025 22:21
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mkhorton commented Jun 4, 2025

Thanks @DanielYang59, looks good. Set this to auto-merge

mkhorton and others added 2 commits June 4, 2025 15:23
Signed-off-by: Matt Horton <mkhorton@users.noreply.github.com>
@mkhorton mkhorton merged commit aa08052 into materialsproject:master Jun 4, 2025
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@DanielYang59 DanielYang59 deleted the fix-multi-branch-band-struct branch June 5, 2025 07:15
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thanks!

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get_band_structure_from_vasp_multiple_branches
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