MRChemSoft / mrchem

MultiResolution Chemistry
GNU Lesser General Public License v3.0
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3 small bug fixes #421

Closed gitpeterwind closed 2 years ago

gitpeterwind commented 2 years ago

MPI_CXX_DOUBLE_COMPLEX is not supported on some machines

3 "asserts" were stopping the code unnecessarily (only in debug mode).

Typo in history rotation (not used by default)

codecov[bot] commented 2 years ago

Codecov Report

Merging #421 (0dc5260) into master (bffd405) will decrease coverage by 0.00%. The diff coverage is 0.00%.

@@            Coverage Diff             @@
##           master     #421      +/-   ##
==========================================
- Coverage   68.38%   68.37%   -0.01%     
==========================================
  Files         183      183              
  Lines       15448    15450       +2     
==========================================
  Hits        10564    10564              
- Misses       4884     4886       +2     
Impacted Files Coverage Δ
src/parallel.cpp 80.43% <ø> (ø)
src/qmfunctions/orbital_utils.cpp 67.48% <0.00%> (-0.13%) :arrow_down:
src/scf_solver/Accelerator.cpp 67.88% <0.00%> (ø)
src/utils/Bank.cpp 37.31% <ø> (ø)

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