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Sphinx: Fix check_setup() for band structure calculation #1500

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merged 1 commit into from
Jul 19, 2024
Merged

Sphinx: Fix check_setup() for band structure calculation #1500

merged 1 commit into from
Jul 19, 2024

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skatnagallu
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added a if statement to check if "kPoint" is in the input

@skatnagallu
Update base.py
4ab4b9e 
added a if statement to check if "kPoint" is in the input
@skatnagallu skatnagallu linked an issue Jul 19, 2024 that may be closed by this pull request
Check_setup needs to be fixed for restarted band structure calculations in sphinz #1499
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@skatnagallu skatnagallu self-assigned this Jul 19, 2024
@skatnagallu skatnagallu requested a review from samwaseda July 19, 2024 08:44
samwaseda
samwaseda approved these changes Jul 19, 2024
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I'm fine if the tests pass

@samwaseda samwaseda added integration Start the notebook integration tests for this PR patch backward compatible bug fixes labels Jul 19, 2024
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Pull Request Test Coverage Report for Build 10005234047

Details

  • 2 of 3 (66.67%) changed or added relevant lines in 1 file are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage increased (+0.002%) to 70.91%
Changes Missing Coverage Covered Lines Changed/Added Lines %
pyiron_atomistics/sphinx/base.py 2 3 66.67%
Totals Coverage Status
Change from base Build 10003742671: 0.002%
Covered Lines: 10701
Relevant Lines: 15091
💛 - Coveralls

@jan-janssen jan-janssen changed the title Update base.py Sphinx: Fix check_setup() for band structure calculation Jul 19, 2024
@skatnagallu skatnagallu merged commit 4cc5e11 into main Jul 19, 2024
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@skatnagallu skatnagallu deleted the 1499-check_setup-needs-to-be-fixed-for-restarted-band-structure-calculations-in-sphinz branch July 19, 2024 09:14
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@samwaseda samwaseda samwaseda approved these changes

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Check_setup needs to be fixed for restarted band structure calculations in sphinz
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@skatnagallu @coveralls @samwaseda