Bug in orbital_optimizer.py to vqe_solver#377
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kottmanj merged 4 commits intotequilahub:develfrom Mar 9, 2025
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thanks. Failed psi4 test is due to some installation issue (no problem on your end) |
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* Add initial state support for expectation values (#373) * Improve circuit compilation performance (#375) * Wave function compact visualization (#376) * wfn compact visualization * minor edit * Update src/tequila/wavefunction/qubit_wavefunction.py Co-authored-by: Oliver Hüttenhofer <oliver.huettenhofer@gmail.com> * Update src/tequila/wavefunction/qubit_wavefunction.py Co-authored-by: Oliver Hüttenhofer <oliver.huettenhofer@gmail.com> * Update test_chemistry.py for h2 hcb is a bit slower (overhead due to changes in orbopt function, not dramatic) --------- Co-authored-by: Oliver Hüttenhofer <oliver.huettenhofer@gmail.com> * spex backend (#379) * adding spex as a supported backend * simulator_spex.py * simple test case * using ExpPauliTerm in circuit * cashing using a circuit hash * using SPEX and OMP_NUM_THREADS for parallelisation if available * using a threshold to eliminate elements with negligible amplitudes * compress_qubit_indicies and moving thresholding to c++ * deleting test_spex_simulator * Update ci_backends.yml * num_qubits param for spex backend (from LSB to MSB) * minor fixup spex backend (#381) * import error in spex backend * spex-backend: error in hadamard compiling * test_gradients: samplers/simulators missmatch * Bug in orbital_optimizer.py to vqe_solver (#377) * Bug in orbital_optimizer.py to vqe_solver * Remove Qiskit noise feature and transpile circuit (#378) * geometry_to_xyz (#382) * Update version.py * Update version.py --------- Co-authored-by: Oliver Hüttenhofer <oliver.huettenhofer@gmail.com> Co-authored-by: davibinco <59845652+davibinco@users.noreply.github.com> Co-authored-by: Mikel-Ma <116980451+Mikel-Ma@users.noreply.github.com> Co-authored-by: JdelArco98 <francisco.del.arco.santos@uni-a.de>
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