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Update the temperature reading in outcar.py #1192

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jyang2009
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Changed the reading of temperature in OUTCAR. When vasp outputs too high temperature, the parser can now read it and throw a warning when the output is "******"

changed the reading of temperature in OUTCAR. When vasp outputs too high temperature, the parser can now read it and throw a warning when the output is "******"
@jan-janssen jan-janssen added the format_black reformat the code using the black standard label Oct 20, 2023
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Pull Request Test Coverage Report for Build 6586016862

  • 0 of 6 (0.0%) changed or added relevant lines in 1 file are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage decreased (-0.02%) to 68.264%

Changes Missing Coverage Covered Lines Changed/Added Lines %
pyiron_atomistics/vasp/outcar.py 0 6 0.0%
Totals Coverage Status
Change from base Build 6535511636: -0.02%
Covered Lines: 10744
Relevant Lines: 15739

💛 - Coveralls

@pmrv
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pmrv commented Oct 26, 2023

The format_black fails with

Run actions/checkout@v2
Error: Input required and not supplied: token

@liamhuber You know that this is about?

@pmrv pmrv added format_black reformat the code using the black standard and removed format_black reformat the code using the black standard labels Oct 26, 2023
@jan-janssen
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@liamhuber You know that this is about?

The pull request is coming from an external fork, so the internal GitHub Actions do not work.

@niklassiemer
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That is a PR from a fork. The Fork does not get any credentials from the original repo. Might be that this is related? On the other hand, the action should just update the branch from which the PR is made...

@liamhuber
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On the other hand, the action should just update the branch from which the PR is made...

I'm not sure that works either, as then out bot needs write access to the contributor's repo -- the branch in question here is showing as jyang2009:main. I guess it might have this permission, but I don't think we can guarantee it?

@jan-janssen jan-janssen marked this pull request as draft February 14, 2024 15:24
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pmrv commented Feb 22, 2024

rebased in #1337

@pmrv pmrv closed this Feb 22, 2024
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6 participants