Bring the schemas à jour #405
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robertodr
reviewed
Apr 8, 2022
robertodr
reviewed
Apr 8, 2022
robertodr
approved these changes
Apr 8, 2022
suggested by robertodr Co-authored-by: Roberto Di Remigio <[email protected]>
Co-authored-by: Roberto Di Remigio <[email protected]>
Codecov Report
@@ Coverage Diff @@
## master #405 +/- ##
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- Coverage 68.88% 68.87% -0.01%
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Files 180 180
Lines 14580 14580
==========================================
- Hits 10043 10042 -1
- Misses 4537 4538 +1
Continue to review full report at Codecov.
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I fixed a few more issues, ready to merge when tests pass |
stigrj
approved these changes
Apr 11, 2022
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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.