BoothGroup / Vayesta

A Python package for wave function-based quantum embedding
Apache License 2.0
32 stars 7 forks source link

Reduces bath_options.occupation_tolerance to 1e-6 #137

Closed maxnus closed 11 months ago

maxnus commented 12 months ago

In reference to https://github.com/BoothGroup/Vayesta/issues/132#issuecomment-1729284251

codecov[bot] commented 12 months ago

Codecov Report

Patch and project coverage have no change.

Comparison is base (29b945b) 71.53% compared to head (b97525c) 71.53%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #137 +/- ## ======================================= Coverage 71.53% 71.53% ======================================= Files 152 152 Lines 20159 20159 Branches 3343 3343 ======================================= Hits 14420 14420 Misses 4906 4906 Partials 833 833 ``` | [Files Changed](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/137?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup) | Coverage Δ | | |---|---|---| | [vayesta/core/qemb/qemb.py](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/137?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-dmF5ZXN0YS9jb3JlL3FlbWIvcWVtYi5weQ==) | `73.83% <ø> (ø)` | |

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