New release v0.4.0.RC into main #326
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
![github-actions[bot]](https://avatars.githubusercontent.com/in/15368?s=60&v=4){kind=small}
* 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 <[email protected]>
Updating python version to 3.8 in automated tests, as 3.7 is no longer maintained by the Python dev team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 <[email protected]>
* 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 <[email protected]>
Remove qubits that are in a deterministic state in quantum circuits, and simplify qubit Hamiltonian accordingly, in order to reduce resource requirements while computing expectation values. --------- Co-authored-by: Valentin Senicourt <[email protected]>
* Update to CONTRIB (main -> develop) and added workflow to help avoid PR to main that are not from develop
…304) * Add option to turn off virt. orb. truncation. * Changed the threshold instead of a flag. Occ. set to their abs values.
* minor bug fixes + test
* added typing for option dictionaries, which improves user experience (autocomplete, auto-loading of docstrings for different GUIs) and handle options better overall
* Tests for pyscf, test for psi4, tests for custom IntegralSolver * temporary: install NO_PYSCF available to users * new: MP2Solver This PR will be followed by 1-2 other PRs to decouple pyscf from almost all algorithms and streamline the use of classical chem backends (support for all classical solvers, turning pyscf as an optional dependency for Tangelo, fixing docs and README etc as a result)
* change multi-controlled CNOT to multi-controlled CX --------- Co-authored-by: Valentin Senicourt <[email protected]>
Support for Braket connection, including batch submission of jobs. Tests, docs, refresh of env_var.sh A PR for the QPU notebook will follow --------- Co-authored-by: Valentin Senicourt <[email protected]> Co-authored-by: ValentinS4t1qbit <[email protected]>
* Support for UMP2 initial parameters.
* chkfile for IntegralSolverPySCF.
* Use Tangelo's `QubitOperator` instead of OpenFermion when possible. * Constructor method `from_openfermion` and export method `to_openfermion` available in `QubitOperator` class. Remaining usage of Openfermion is tied to qubit mappings mostly, and code relying on other Openfermion features. --------- Co-authored-by: Valentin Senicourt <[email protected]> Co-authored-by: ValentinS4t1qbit <[email protected]>
* moved chem tests to molecular_computation tests * Changed FCISolver to class with solver attribute --------- Co-authored-by: Valentin Senicourt <[email protected]>
* Removed deprecated versions of trasnlation functions and Simulator. --------- Co-authored-by: Valentin Senicourt <[email protected]> Co-authored-by: ValentinS4t1qbit <[email protected]>
* add ccsd_solver test to psi4 testing * get_rdm currently not supported, suggestions added in comments
* add spin to available options and docstring
* Support for MP2 with psi4 backend. * get_rdm and get_mp2_parameters currently unsupported, suggestions left in docstrings.
Perrformance tests take time and should not be run systematically
* Added spaces in messages. * Typos and code format. * Add period.
* remove no_pyscf, attempt windows test * updated psi4 test --------- Co-authored-by: Valentin Senicourt <[email protected]>
…ly required) (#322) * improved Error message for MP2 initialization if pyscf is not found
* direct tableau * noise and circuit sampler * decomposition into clifford gates * clifford decomp tests, and SDAG in cirq * is_clifford in gate class * expand clifford decomp to integer values * small comments, add pip install stim to workflow Co-authored-by: Valentin Senicourt <[email protected]>
github-actions
bot
requested review from
ValentinS4t1qbit,
JamesB-1qbit and
alexfleury-sb
as code owners
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
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.