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MRChemSoft / mrchem

MultiResolution Chemistry
GNU Lesser General Public License v3.0
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Linear response with solvent #456

Closed robertodr closed 9 months ago

codecov[bot] commented 1 year ago

Codecov Report

Attention: 31 lines in your changes are missing coverage. Please review.

Comparison is base (357554a) 69.53% compared to head (c690a59) 69.37%. Report is 28 commits behind head on master.

:exclamation: Current head c690a59 differs from pull request most recent head a80bbb7. Consider uploading reports for the commit a80bbb7 to get more accurate results

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #456 +/- ## ========================================== - Coverage 69.53% 69.37% -0.17% ========================================== Files 175 179 +4 Lines 14853 14896 +43 ========================================== + Hits 10328 10334 +6 - Misses 4525 4562 +37 ``` | [Files](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft) | Coverage Δ | | |---|---|---| | [src/environment/Cavity.cpp](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL2Vudmlyb25tZW50L0Nhdml0eS5jcHA=) | `75.00% <ø> (ø)` | | | [src/environment/Permittivity.cpp](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL2Vudmlyb25tZW50L1Blcm1pdHRpdml0eS5jcHA=) | `100.00% <100.00%> (ø)` | | | [src/environment/Permittivity.h](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL2Vudmlyb25tZW50L1Blcm1pdHRpdml0eS5o) | `100.00% <ø> (ø)` | | | [src/environment/SCRF.cpp](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL2Vudmlyb25tZW50L1NDUkYuY3Bw) | `92.85% <100.00%> (-0.36%)` | :arrow_down: | | [src/qmfunctions/Density.h](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3FtZnVuY3Rpb25zL0RlbnNpdHkuaA==) | `100.00% <100.00%> (ø)` | | | [src/qmoperators/two\_electron/ReactionPotential.cpp](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3Ftb3BlcmF0b3JzL3R3b19lbGVjdHJvbi9SZWFjdGlvblBvdGVudGlhbC5jcHA=) | `100.00% <100.00%> (ø)` | | | [src/qmoperators/two\_electron/ReactionPotential.h](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3Ftb3BlcmF0b3JzL3R3b19lbGVjdHJvbi9SZWFjdGlvblBvdGVudGlhbC5o) | `80.00% <100.00%> (ø)` | | | [...c/qmoperators/two\_electron/ReactionPotentialD1.cpp](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3Ftb3BlcmF0b3JzL3R3b19lbGVjdHJvbi9SZWFjdGlvblBvdGVudGlhbEQxLmNwcA==) | `100.00% <100.00%> (ø)` | | | [src/qmoperators/two\_electron/ReactionPotentialD1.h](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3Ftb3BlcmF0b3JzL3R3b19lbGVjdHJvbi9SZWFjdGlvblBvdGVudGlhbEQxLmg=) | `100.00% <100.00%> (ø)` | | | [src/environment/SCRF.h](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL2Vudmlyb25tZW50L1NDUkYuaA==) | `0.00% <0.00%> (ø)` | | | ... and [3 more](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft) | | ... and [1 file with indirect coverage changes](https://app.codecov.io/gh/MRChemSoft/mrchem/pull/456/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft)

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