UHF reference symmetry labels. #360
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JamesB-1qbit
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tangelo/toolboxes/molecular_computation/integral_solver_pyscf.py
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* Helper class and functions for iFCI fragment import (#351) * Set the instance in a Qiskit runtime job (#352) * Added trim_qubits option to Circuit.split() (#353) * Measurement Controlled operations (CMEASURE) (#334) * Fix after qiskit update: qiskit_noise_model (#354) * Bugfix: DMET fragment object initialization from IntegralSolver fixed (#355) * added explicit mo_coeff for H4_cation (#356) * VQE get_rdm performance improvements (#357) * Implementation of Frozen Natural Orbitals (FNO) (#358) * UHF reference symmetry labels. (#360) * FNO: NotImplementedError for ROHF (#362) * Iterative Quantum Phase Estimation (#359) * README minor changes + feature overview link (#363) * Add feature list (#364) (#365) --------- Co-authored-by: Valentin Senicourt <41597680+ValentinS4t1qbit@users.noreply.github.com> Co-authored-by: AlexandreF-1qbit <76115575+AlexandreF-1qbit@users.noreply.github.com> Co-authored-by: James Brown <84878946+JamesB-1qbit@users.noreply.github.com> Co-authored-by: James Brown <james.brown@1qbit.com> Co-authored-by: ValentinS4t1qbit <valentin@goodchemistry.gmail>
ValentinS4t1qbit
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* Main to catch up with develop (#344) * Helper class and functions for iFCI fragment import (#351) * Set the instance in a Qiskit runtime job (#352) * Added trim_qubits option to Circuit.split() (#353) * Measurement Controlled operations (CMEASURE) (#334) * Fix after qiskit update: qiskit_noise_model (#354) * Bugfix: DMET fragment object initialization from IntegralSolver fixed (#355) * added explicit mo_coeff for H4_cation (#356) * VQE get_rdm performance improvements (#357) * Implementation of Frozen Natural Orbitals (FNO) (#358) * UHF reference symmetry labels. (#360) * FNO: NotImplementedError for ROHF (#362) * Iterative Quantum Phase Estimation (#359) * README minor changes + feature overview link (#363) * Add feature list (#364) (#365) --------- Co-authored-by: Valentin Senicourt <41597680+ValentinS4t1qbit@users.noreply.github.com> Co-authored-by: AlexandreF-1qbit <76115575+AlexandreF-1qbit@users.noreply.github.com> Co-authored-by: James Brown <84878946+JamesB-1qbit@users.noreply.github.com> Co-authored-by: James Brown <james.brown@1qbit.com> Co-authored-by: ValentinS4t1qbit <valentin@goodchemistry.gmail>
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May 31, 2024
* Helper class and functions for iFCI fragment import (sandbox-quantum#351) * Set the instance in a Qiskit runtime job (sandbox-quantum#352) * Added trim_qubits option to Circuit.split() (sandbox-quantum#353) * Measurement Controlled operations (CMEASURE) (sandbox-quantum#334) * Fix after qiskit update: qiskit_noise_model (sandbox-quantum#354) * Bugfix: DMET fragment object initialization from IntegralSolver fixed (sandbox-quantum#355) * added explicit mo_coeff for H4_cation (sandbox-quantum#356) * VQE get_rdm performance improvements (sandbox-quantum#357) * Implementation of Frozen Natural Orbitals (FNO) (sandbox-quantum#358) * UHF reference symmetry labels. (sandbox-quantum#360) * FNO: NotImplementedError for ROHF (sandbox-quantum#362) * Iterative Quantum Phase Estimation (sandbox-quantum#359) * README minor changes + feature overview link (sandbox-quantum#363) * Add feature list (sandbox-quantum#364) (sandbox-quantum#365) --------- Co-authored-by: Valentin Senicourt <41597680+ValentinS4t1qbit@users.noreply.github.com> Co-authored-by: AlexandreF-1qbit <76115575+AlexandreF-1qbit@users.noreply.github.com> Co-authored-by: James Brown <84878946+JamesB-1qbit@users.noreply.github.com> Co-authored-by: James Brown <james.brown@1qbit.com> Co-authored-by: ValentinS4t1qbit <valentin@goodchemistry.gmail>
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Adds the ability to assign symmetry labels for a UHF reference. Needed to change the setter for mo_coef for uhf.