New release v0.4.1 into main #349
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* allow single flip index dis for jkmn
* uhf implementation with VQESolver functionality * support for all types of orbital freezing * add active_spin and uhf attributes to SecondQuantizedDMETFragment * add spin to adapt_ansatz arguments
* added multi-product, grid_circuits and discrete_clock
* tangelo to pennylane format translation Co-authored-by: Valentin Senicourt <41597680+ValentinS4t1qbit@users.noreply.github.com>
Updating python version to 3.8 in automated tests, as 3.7 is no longer maintained by the Python dev team
* check for small value lcu * changed to keep same vector length but apply no operations
* Open-shell DMET. * Fix for get_rdm CCSD. * Added NAO localization. * Added LiO2 spin=1 DMET test. * Added UHF MF for DMET. New get_rdm for VQESolver.
* A flag now allows users to save mid-circuit measurements for each shot run. Co-authored-by: Valentin Senicourt <valentin.senicourt@1qbit.com>
* added draw method to circuit (warning about font comes up in linux env)
…268) * Support to bidirectional translation of operators for cirq, qulacs, PennyLane, projectq. * Fixed a bug in QulacsSimulator.expectation_value_from_prepared_state. * Important bug in qiskit -> tangelo op translation fixed
…pes in compute_rdms (#269) * Compute RDMs function can now hangle both term formats (string and openfermion tuple). * Unhashable list for of -> conversion to tuples. * Handling all the inputs in compute_rdms.
* Temporarily disabling for code verification purpose, as the implementation seems to return very odd and incorrect results for simple systems.
* reverted changes that broke tests
* DMET + frozen orbitals, added DMET/frozen tests.
* removed examples folder, removed notebooks from automated tests, added link higher in README.rst
* Updated conf.py, tested building docs and fixed comments/docs. * Removed tutorials.rst with the notebooks.
* New feature: return frequencies matching desired mid-circuit measurement values. --------- Co-authored-by: James Brown <james.brown@1qbit.com>
* Remove pre-install reqs (wheel) * Remove openfermionpyscf as not needed anymore * Us extra_requires for pyscf optional dependencies. * Removed unused imports * Use long description for long description
* fix qiskit-aer installation * Initial QPE framework: vanilla QPE with built-in or user-defined unitary
* Fixes to keep up with the update of QEMIST Cloud
* adding more python versions to tests, per-version artifacts files, ensuring all of them fully run regarding of failure --------- Co-authored-by: ValentinS4t1qbit <valentin@goodchemistry.gmail>
* add missed condition in get_expectation_value * added test relying on std_dev
… with several circuits (#341) Co-authored-by: ValentinS4t1qbit <valentin@goodchemistry.gmail>
* added function that returns the qubits used for truncated taylor series * removed spurious arg in docstring
* HiddenPrints with verbose option. Option to save energies at each opt steps. * Variable for number of steps. * Align things.
* small fix for assigning mo_coeff to classical solver * CCSDSolver and FCISolver use SecondQuantizedMolecule mo_coeff for both psi4 and pyscf * moved imports to top of file
* convenience functions to merge compatible rotations and umbrella simplify function to combine simplification primitives and run passes on a circuit recursively * Support for phase and cphase gate. Leaving XX aside for Olivia di Matteo's team, since they know IonQ very well --------- Co-authored-by: ValentinS4t1qbit <valentin@goodchemistry.gmail>
* QMMM with psi4 and pyscf * corner case to handle psi4 v1.6 * support for rdkit * improved support for multiple pdb files * Added MMChargesSolver class, IntegralSolver can be chosen
* added functions that implement exact expansion/ parameters for ILC iteration * small fixes so that the circuit generated from the ilc eigenvalue problem has the same energy
* Swap MM packages in logic. * Removed QubitHamiltonian use in QITESolver.
* Update to combinatorial, using recursive version instead of initial naive one with qubit operators. Further work has started to improve performance and reduce memory consumption --------- Co-authored-by: ValentinS4t1qbit <valentin@goodchemistry.gmail>
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Oct 18, 2023
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May 31, 2024
* Fixed requirements (sandbox-quantum#324) * Remove pre-install reqs (wheel) * Remove openfermionpyscf as not needed anymore * Us extra_requires for pyscf optional dependencies. * Fix combinatorial mapping when spin!=0. (sandbox-quantum#330) * QPESolver implementation (sandbox-quantum#332) * fix qiskit-aer installation * Initial QPE framework: vanilla QPE with built-in or user-defined unitary * Fixes to MIFNOHelper after QEMIST Cloud 0.6.0 release (sandbox-quantum#331) * Adding more python versions to tests (sandbox-quantum#333) * Bug Fix: n_shots parameter was ignored in get_expectation_value (sandbox-quantum#337) * add missed condition in get_expectation_value, added test relying on std_dev * convert all gate names to upper case and check that it is a string (sandbox-quantum#340) * Fixes for new version of qiskit runtime. Tangelo now supports sampler with several circuits (sandbox-quantum#341) * Function that returns the qubits used for Truncated Taylor Series (sandbox-quantum#339) * added function that returns the qubits used for truncated taylor series * Support for following VQE minimization in VQESolver (sandbox-quantum#342) * HiddenPrints with verbose option. Option to save energies at each opt steps. * Readme update: more straight to the point. (sandbox-quantum#343) * Classical solver uses mo_coeff from SecondQuantizedMolecule (sandbox-quantum#338) * small fix for assigning mo_coeff to classical solver * CCSDSolver and FCISolver use SecondQuantizedMolecule mo_coeff for both psi4 and pyscf * moved imports to top of file * Simplify method for circuits (sandbox-quantum#345) * convenience functions to merge compatible rotations and umbrella simplify function to combine simplification primitives and run passes on a circuit recursively * QM/MM support with electrostatic embedding (sandbox-quantum#336) * QMMM with psi4 and pyscf * corner case to handle psi4 v1.6 * support for rdkit * improved support for multiple pdb files * Added MMChargesSolver class, IntegralSolver can be chosen * Small fixes for ILC (sandbox-quantum#346) * added functions that implement exact expansion/ parameters for ILC iteration * small fixes so that the circuit generated from the ilc eigenvalue problem has the same energy * QM/MM: charges solvers made consistent with users choices. (sandbox-quantum#347) * Removed QubitHamiltonian use in QITESolver. * Performance upgrade to combinatorial mapping (sandbox-quantum#348) * Update to combinatorial, using recursive version instead of initial naive one with qubit operators. Further work has started to improve performance and reduce memory consumption 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: Charles Coulombe <ccoulombe@users.noreply.github.com>
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This PR was created in response to "create_release_branch" workflow running.
It automatically updated the version number.
Don't forget to update CHANGELOGS.md, and then merge back main into develop after this PR goes through.
For the review, only version bumping files are of interest, and making sure tests are passing.
Afterwards, creating a release on github or on pypi can be done.