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Update main: link to new repo, before 0.3.5 release. (#273)
* Update develop to catch up with main version 0.3.3 (#249) * Fix link of fig in qchem & excited states notebook (#250) * allow single flip index dis for qcc (#247) * allow single flip index dis for jkmn * Richardson extrapolation: bug fix + error estimation (#252) * Bugfix: DMET with QCC (#253) * iQCC using only Clifford circuits notebook (#254) * pUCCD ansatz (#251) * UHF reference (#240) * 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 (#257) * added multi-product, grid_circuits and discrete_clock * translation to pennylane (#260) * tangelo to pennylane format translation Co-authored-by: Valentin Senicourt <[email protected]> * bump testing version to 3.8 (#262) Updating python version to 3.8 in automated tests, as 3.7 is no longer maintained by the Python dev team * Auto threshold cutoff for small coefficients in LCU (#261) * check for small value lcu * changed to keep same vector length but apply no operations * Openshell DMET (#208) * 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. * Save mid-circuit measurement (#256) * A flag now allows users to save mid-circuit measurements for each shot run. Co-authored-by: Valentin Senicourt <[email protected]> * Fix for IBMQConnection (#264) * Updated copyright year to 2023 (#267) * added draw method to circuit (#266) * added draw method to circuit (warning about font comes up in linux env) * Cirq, qulacs, pennylane and projectq operator translation functions (#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 * Fixed identity operator evaluation and extended the accepted input types 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 OS-DMET (#271) * Temporarily disabling for code verification purpose, as the implementation seems to return very odd and incorrect results for simple systems. * Link to new example repo * Update README.rst * Revert changes that broke tests (#275) * reverted changes that broke tests --------- Co-authored-by: AlexandreF-1qbit <[email protected]> Co-authored-by: James Brown <[email protected]> Co-authored-by: KrzysztofB-1qbit <[email protected]>
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tangelo/algorithms/classical/tests/test_semi_empirical_solver.py
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tangelo/algorithms/variational/tests/test_tetris_adapt_vqe_solver.py
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