Tequila Files

• Small fixes for Identity and GlobalPhase gates (#434)
• enable initial guess wfn in compute_fci (#435)
• enable initial guess wfn in compute_fci
• Add fci solver tests for multiple roots and custom guess
• No double counting core orb from_tequila (#436)
• Change OptimizerGD to allow Objectives with U without device (FCircuit) (#441)
• Update CUDA version from 12.4.0 to 12.6.0
• Density matrix class and simulation (#324)
• Adding linear depth F3 circuit
• Fixed filters, changed tests
• Adding density simulation for noise with qiskit
• split do_simulate for density simulation
• adding simulate_density and dependencies, test function
• Fix assertion condition for orbital index (#438)
• Implement increase_qubits method in QubitWaveFunction (#442) Added a method to increase the number of qubits in the wavefunction. Allow inner product wvf different number of qubits
• Fix state mapping to SOs (#443)
• fixed orbital native orbital type (#444)
• Add read and save checkpoint file orbital opt (#447)
• Add read and save checkpoint file orbital opt
• Remove pkg_resources
• Refactor exception handling in main_trot.py
• Handle PackageNotFoundError for qiskit-aer-gpu import
• Add use_hcb option to compute_fci (#449)
• Allow fci wfn guess and output in hcb format
• Add fci hcb test
• Fix invalid escape sequences in doccomments (#450)
• Update get_givens_circuit (#448) Update to allow the initial value of the Ph + UR gates to be set as fix or not. Useful to allowing a better orbital rotation by variable cost function minimization

Co-authored-by: Oliver Hüttenhofer oliver.huettenhofer@gmail.com Co-authored-by: lily-barta bartalily8@gmail.com Co-authored-by: JdelArco98 francisco.del.arco.santos@uni-a.de Co-authored-by: Praveen Jayakumar praveen91299@gmail.com Co-authored-by: davibinco 59845652+davibinco@users.noreply.github.com Co-authored-by: JdelArco98 javierdelarcosantos@gmail.com Co-authored-by: Matthias Deiml matthias.deiml@uni-a.de