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commented
1 year ago Codecov Report
Patch coverage: 75.00% and project coverage change: -0.25 :warning:
Comparison is base (
10db358) 71.99% compared to head (9442d16) 71.74%.
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Additional details and impacted files
```diff @@ Coverage Diff @@ ## master #108 +/- ## ========================================== - Coverage 71.99% 71.74% -0.25% ========================================== Files 138 138 Lines 18402 18494 +92 Branches 2578 2594 +16 ========================================== + Hits 13248 13268 +20 - Misses 4424 4493 +69 - Partials 730 733 +3 ``` | [Impacted Files](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/108?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/108?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-dmF5ZXN0YS9jb3JlL3FlbWIvcWVtYi5weQ==) | `72.65% <66.66%> (-0.25%)` | :arrow_down: | | [vayesta/core/qemb/corrfunc.py](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/108?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-dmF5ZXN0YS9jb3JlL3FlbWIvY29ycmZ1bmMucHk=) | `85.63% <100.00%> (ø)` | | ... and [6 files with indirect coverage changes](https://app.codecov.io/gh/BoothGroup/Vayesta/pull/108/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup):umbrella: View full report in Codecov by Sentry.
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This adds the options to generate correlation functions using a IAO fragmentation and for specific target orbitals within the corrfunc functionality of the embedding methods. This allows correlation functions to be calculated in specific local orbital spaces on each atom, rather than the full local hilbert space.