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BUG: Pulay mixing is possibly not behaving as intended#45

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Julpe merged 1 commit intomainfrom
PulayFix
Mar 27, 2026
Merged

BUG: Pulay mixing is possibly not behaving as intended#45
Julpe merged 1 commit intomainfrom
PulayFix

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@Julpe Julpe commented Mar 25, 2026

Pulay mixing is not behaving as intended.

@Julpe Julpe self-assigned this Mar 25, 2026
@Julpe Julpe added the bug Something isn't working label Mar 25, 2026
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codecov bot commented Mar 25, 2026

Codecov Report

❌ Patch coverage is 58.33333% with 10 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
moldga/n_point_base.py 41.17% 10 Missing ⚠️

📢 Thoughts on this report? Let us know!

@Julpe Julpe marked this pull request as draft March 26, 2026 12:20
@Julpe Julpe marked this pull request as ready for review March 27, 2026 08:41
@Julpe Julpe merged commit bcebc95 into main Mar 27, 2026
7 of 8 checks passed
@Julpe Julpe deleted the PulayFix branch March 27, 2026 08:57
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