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Make Molecule the central object for qchem functions #5571
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Left some comments for now.
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## qchem_feature_branch #5571 +/- ##
========================================================
- Coverage 99.69% 99.68% -0.02%
========================================================
Files 412 412
Lines 38581 38386 -195
========================================================
- Hits 38465 38264 -201
- Misses 116 122 +6 ☔ View full report in Codecov by Sentry. |
Co-authored-by: Utkarsh <[email protected]>
Co-authored-by: Utkarsh <[email protected]>
Co-authored-by: Austin Huang <[email protected]>
Co-authored-by: Utkarsh <[email protected]>
Co-authored-by: Utkarsh <[email protected]>
Co-authored-by: Utkarsh <[email protected]>
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Great work @ddhawan11 . LGTM
Co-authored-by: Utkarsh <[email protected]>
Co-authored-by: Utkarsh <[email protected]>
Co-authored-by: Utkarsh <[email protected]>
Co-authored-by: Utkarsh <[email protected]>
Co-authored-by: Utkarsh <[email protected]>
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Remember to add a changelog unless you'll be adding a combined one in the feature branch.
Co-authored-by: Utkarsh <[email protected]>
Context:
Description of the Change:
Molecule is the central object for molecular_hamiltonian function
Benefits:
Possible Drawbacks:
Related GitHub Issues: