BoothGroup / Vayesta

A Python package for wave function-based quantum embedding
Apache License 2.0
33 stars 8 forks source link

Deleting old files and commented code #98

Closed maxnus closed 1 year ago

maxnus commented 1 year ago

Addressing parts of #95

codecov-commenter commented 1 year ago

Codecov Report

Patch coverage has no change and project coverage change: -0.03 :warning:

Comparison is base (be22731) 71.73% compared to head (33159b9) 71.71%.

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #98 +/- ## ========================================== - Coverage 71.73% 71.71% -0.03% ========================================== Files 133 133 Lines 18460 18459 -1 Branches 2573 2573 ========================================== - Hits 13243 13238 -5 - Misses 4485 4487 +2 - Partials 732 734 +2 ``` | [Impacted Files](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/98?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup) | Coverage Δ | | |---|---|---| | [vayesta/core/foldscf.py](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/98?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-dmF5ZXN0YS9jb3JlL2ZvbGRzY2YucHk=) | `75.86% <ø> (-0.12%)` | :arrow_down: | | [vayesta/ewf/ewf.py](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/98?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-dmF5ZXN0YS9ld2YvZXdmLnB5) | `65.48% <ø> (ø)` | | | [vayesta/ewf/fragment.py](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/98?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-dmF5ZXN0YS9ld2YvZnJhZ21lbnQucHk=) | `67.86% <ø> (ø)` | | ... and [2 files with indirect coverage changes](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/98/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup)

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obackhouse commented 1 year ago

Thanks - do you want to change the target to deprecations to keep everything in #95 or just merge this into master? Either fine by me, this can be merged whenever

cjcscott commented 1 year ago

I've taken the liberty of adding in removals of similar code within core, hope that's alright!