codecov[bot]
commented
2 years ago Codecov Report
Base: 63.15% // Head: 57.20% // Decreases project coverage by -5.95% :warning:
Coverage data is based on head (
7ae2cc3) compared to base (e865a7e). Patch coverage: 1.55% of modified lines in pull request are covered.
Additional details and impacted files
```diff @@ Coverage Diff @@ ## master #198 +/- ## ========================================== - Coverage 63.15% 57.20% -5.96% ========================================== Files 173 178 +5 Lines 13158 14546 +1388 ========================================== + Hits 8310 8321 +11 - Misses 4848 6225 +1377 ``` | [Impacted Files](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft) | Coverage Δ | | |---|---|---| | [src/treebuilders/grid.cpp](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3RyZWVidWlsZGVycy9ncmlkLmNwcA==) | `68.83% <0.00%> (-4.78%)` | :arrow_down: | | [src/treebuilders/project.cpp](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3RyZWVidWlsZGVycy9wcm9qZWN0LmNwcA==) | `83.33% <ø> (ø)` | | | [src/trees/FunctionTree.h](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3RyZWVzL0Z1bmN0aW9uVHJlZS5o) | `54.54% <0.00%> (-5.46%)` | :arrow_down: | | [src/trees/MWNode.h](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3RyZWVzL01XTm9kZS5o) | `76.92% <ø> (ø)` | | | [src/trees/MWTree.cpp](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3RyZWVzL01XVHJlZS5jcHA=) | `78.91% <0.00%> (-1.75%)` | :arrow_down: | | [src/trees/MWTree.h](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3RyZWVzL01XVHJlZS5o) | `72.41% <ø> (ø)` | | | [src/trees/NodeAllocator.h](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3RyZWVzL05vZGVBbGxvY2F0b3IuaA==) | `90.90% <ø> (ø)` | | | [src/utils/ComplexFunction.cpp](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3V0aWxzL0NvbXBsZXhGdW5jdGlvbi5jcHA=) | `0.00% <0.00%> (ø)` | | | [src/utils/ComplexFunction.h](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3V0aWxzL0NvbXBsZXhGdW5jdGlvbi5o) | `0.00% <0.00%> (ø)` | | | [src/utils/math\_utils.cpp](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft#diff-c3JjL3V0aWxzL21hdGhfdXRpbHMuY3Bw) | `50.70% <0.00%> (-8.80%)` | :arrow_down: | | ... and [9 more](https://codecov.io/gh/MRChemSoft/mrcpp/pull/198/diff?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft) | | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MRChemSoft):umbrella: View full report at Codecov.
:loudspeaker: Do you have feedback about the report comment? Let us know in this issue.
The long term goal is that all the mpi treatment is done "transparently" in mrcpp. The user must simply use "OrbitalVector" (aka MPI_FuncVector), and all the operations on that vector will be done in parallel. Mrcpp should not need to know much about orbitals, only that they are complex functions.
The parallel.cpp, Bank.cpp moved from mrchem to mrcpp QMFunctions and Orbitals are merged and moved from mrchem to mrcpp into CplxFunc
For now only additional files in mrcpp, so should not affect other parts.
rank is now the indice in the vector (was mpi rank of owner) renamed orb_rank and orb_size to wrk_rank and wrk_size ... and plenty of small changes.
The mrchem version that can use this mrcpp is here: https://github.com/gitpeterwind/mrchem/tree/vecmult
Renamed the old CplxFunc class to ComplexFunction