codecov[bot]
commented
1 year ago Codecov Report
Patch coverage: 64.00% and project coverage change: -0.24% :warning:
Comparison is base (
3c90ae0) 83.68% compared to head (757d2be) 83.44%.
Additional details and impacted files
```diff @@ Coverage Diff @@ ## master #86 +/- ## ========================================== - Coverage 83.68% 83.44% -0.24% ========================================== Files 35 35 Lines 6820 6827 +7 ========================================== - Hits 5707 5697 -10 - Misses 1113 1130 +17 ``` | [Files Changed](https://app.codecov.io/gh/psi-rking/optking/pull/86?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King) | Coverage Δ | | |---|---|---| | [optking/linearAlgebra.py](https://app.codecov.io/gh/psi-rking/optking/pull/86?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King#diff-b3B0a2luZy9saW5lYXJBbGdlYnJhLnB5) | `61.44% <25.00%> (-9.79%)` | :arrow_down: | | [optking/displace.py](https://app.codecov.io/gh/psi-rking/optking/pull/86?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King#diff-b3B0a2luZy9kaXNwbGFjZS5weQ==) | `86.01% <100.00%> (-0.43%)` | :arrow_down: | | [optking/molsys.py](https://app.codecov.io/gh/psi-rking/optking/pull/86?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King#diff-b3B0a2luZy9tb2xzeXMucHk=) | `80.38% <100.00%> (ø)` | | | [optking/optparams.py](https://app.codecov.io/gh/psi-rking/optking/pull/86?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King#diff-b3B0a2luZy9vcHRwYXJhbXMucHk=) | `78.76% <100.00%> (+0.21%)` | :arrow_up: | | [optking/stepAlgorithms.py](https://app.codecov.io/gh/psi-rking/optking/pull/86?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King#diff-b3B0a2luZy9zdGVwQWxnb3JpdGhtcy5weQ==) | `83.69% <100.00%> (-0.84%)` | :arrow_down: | ... and [3 files with indirect coverage changes](https://app.codecov.io/gh/psi-rking/optking/pull/86/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Rollin+King):umbrella: View full report in Codecov by Sentry.
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bt_pinv_rcondnow used in both projection of forces, hessian, and in calculating step. And default value increased to 10^-6. Also, cleanup of various tests.