fix: ensure the `ElectronicDensity` is always unrestricted-spin

qiskit-community / qiskit-nature-pyscf

Documentation at https://qiskit-community.github.io/qiskit-nature-pyscf/

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fix: ensure the `ElectronicDensity` is always unrestricted-spin #45

Closed mrossinek closed 11 months ago

mrossinek commented 11 months ago

Summary

The ElectronicDensity object returned in the ElectronicStructureResult from the PySCFGroundStateSolver is documented to always contain unrestricted-spin information. This was not the case so far and is addressed by this commit.

Details and comments

coveralls commented 11 months ago

Pull Request Test Coverage Report for Build 6323612560

2 of 2 (100.0%) changed or added relevant lines in 1 file are covered.
No unchanged relevant lines lost coverage.
Overall coverage decreased (-0.5%) to 77.181%

Totals
Change from base Build 6322963296:	-0.5%
Covered Lines:	115
Relevant Lines:	149

qiskit-community / qiskit-nature-pyscf

fix: ensure the `ElectronicDensity` is always unrestricted-spin #45

Summary

Details and comments

Pull Request Test Coverage Report for Build 6323612560

💛 - Coveralls