[pull] master from MRChemSoft:master #49
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spin used for overlap matrix. Orthogonalization bug fix
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #49 +/- ##
==========================================
- Coverage 65.85% 65.70% -0.15%
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Files 185 185
Lines 10206 10232 +26
==========================================
+ Hits 6721 6723 +2
- Misses 3485 3509 +24 ☔ View full report in Codecov by Sentry. |
bug fix and remove MPI_CXX type
omp loop fix
…o MultiResolutionAnalysis.rst
Thanks Roberto! Co-authored-by: Roberto Di Remigio Eikås <[email protected]>
Added doc to MultiResolutionAnalysis.cpp
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