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MRChemSoft / mrchem

MultiResolution Chemistry
GNU Lesser General Public License v3.0
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Bring the schemas à jour #405

Closed Brakjen closed 2 years ago

Brakjen commented 2 years ago

I have updated the schemas to include parameters for solvation, ZORA, and sad_gto.

Is there anything else that should be updated there? The constants from #404 will need to be merged after.

codecov[bot] commented 2 years ago

Codecov Report

Merging #405 (cb9d3a2) into master (fd794b7) will decrease coverage by 0.00%. The diff coverage is n/a.

@@            Coverage Diff             @@
##           master     #405      +/-   ##
==========================================
- Coverage   68.88%   68.87%   -0.01%     
==========================================
  Files         180      180              
  Lines       14580    14580              
==========================================
- Hits        10043    10042       -1     
- Misses       4537     4538       +1
Impacted Files Coverage Δ
src/mrenv.cpp 96.93% <0.00%> (-0.62%) :arrow_down:

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stigrj commented 2 years ago

I fixed a few more issues, ready to merge when tests pass