PSI4 Driver Update #521
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PSI4 Driver Update #521
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Pull Request Test Coverage Report for Build 1847251328
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mrossinek
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woodsp-ibm
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Feb 11, 2022
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The warning did not contain the correct object information. Furthermore, the non-transformed properties are not actually being removed but are merely left untransformed.
woodsp-ibm
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Feb 14, 2022
pbark
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Anthony-Gandon
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May 25, 2023
* wip: refactor Psi4Driver to integrate property framework * fix: Psi4Driver.template do not put orbital energies as occupations * fix: Psi4Driver handle non-dictionary aux_operators * fix: Psi4Driver path handling in Windows * fix: always set AngularMomentum and Magnetization Similar reasoning as in qiskit-community@fcf140a * Fix mypy * fix: update to correct save_to_hdf5 API * fix: inject runtime config * fix: import future annotations * ref: avoid potential variable name clashes in Psi4 template * fix: ActiveSpaceTransformer warning The warning did not contain the correct object information. Furthermore, the non-transformed properties are not actually being removed but are merely left untransformed. * Fix after merge * reset mergify Co-authored-by: mergify[bot] <37929162+mergify[bot]@users.noreply.github.com> Co-authored-by: Manoel Marques <[email protected]>
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Summary
This is a proof-of-concept for the
Psi4Driverupdate with the new HDF5-property integration (#461).Details and comments
I'm mostly opening this PR to leverage the CI. This is
on holduntil the HDF5 integration is merged. Once that happens, I will rebase the branch ontomain.