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removing force_parity from create_kpoints_from_distance #598
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #598 +/- ##
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Coverage 80.86% 80.86%
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Files 49 49
Lines 3429 3429
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Hits 2773 2773
Misses 656 656
Flags with carried forward coverage won't be shown. Click here to find out more. ☔ View full report in Codecov by Sentry. |
Hi @AndresOrtegaGuerrero, what you mean of "same logic"? I look at the function in |
@unkcpz in the base workchain, https://github.com/aiidateam/aiida-quantumespresso/blob/main/src/aiida_quantumespresso/workflows/pw/base.py#L7 thats why the value we display is not necessarily the one is being used in the calculations since it should be force_parity false |
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Thanks!
Use the same default value as of the aiida-quantumespresso plugin, therefore displaying the final kpoint mesh as in the calculation.
This allows the app to follow the same logic of aiida-quantumespresso plugin, therefore displaying the final kpoint mesh as in the calculation