LICENSE
README.md
pyproject.toml
kanad_compute/__init__.py
kanad_compute/cli.py
kanad_compute/config.py
kanad_compute/remote_worker.py
kanad_compute/server.py
kanad_compute/sysinfo.py
kanad_compute/worker.py
kanad_compute.egg-info/PKG-INFO
kanad_compute.egg-info/SOURCES.txt
kanad_compute.egg-info/dependency_links.txt
kanad_compute.egg-info/entry_points.txt
kanad_compute.egg-info/requires.txt
kanad_compute.egg-info/top_level.txt
kanad_compute/kanad/__init__.py
kanad_compute/kanad/analysis/__init__.py
kanad_compute/kanad/analysis/bond_scanner.py
kanad_compute/kanad/analysis/configuration_explorer.py
kanad_compute/kanad/analysis/dos_calculator.py
kanad_compute/kanad/analysis/dynamics_analysis.py
kanad_compute/kanad/analysis/energy_analysis.py
kanad_compute/kanad/analysis/molecular_descriptors.py
kanad_compute/kanad/analysis/nmr_calculator.py
kanad_compute/kanad/analysis/property_calculator.py
kanad_compute/kanad/analysis/raman_calculator.py
kanad_compute/kanad/analysis/spectroscopy.py
kanad_compute/kanad/analysis/thermochemistry.py
kanad_compute/kanad/analysis/uncertainty.py
kanad_compute/kanad/analysis/vibrational_analysis.py
kanad_compute/kanad/backends/__init__.py
kanad_compute/kanad/backends/base_backend.py
kanad_compute/kanad/backends/factory.py
kanad_compute/kanad/backends/planck_adapter.py
kanad_compute/kanad/backends/qiskit_backend.py
kanad_compute/kanad/backends/statevector_backend.py
kanad_compute/kanad/backends/bluequbit/__init__.py
kanad_compute/kanad/backends/bluequbit/backend.py
kanad_compute/kanad/backends/ibm/__init__.py
kanad_compute/kanad/backends/ibm/backend.py
kanad_compute/kanad/backends/ibm/error_mitigation.py
kanad_compute/kanad/backends/ionq/__init__.py
kanad_compute/kanad/backends/ionq/backend.py
kanad_compute/kanad/benchmarks/__init__.py
kanad_compute/kanad/benchmarks/planck_full_analysis_audit.py
kanad_compute/kanad/benchmarks/planck_photodyn_analysis.py
kanad_compute/kanad/benchmarks/planck_protocol_audit.py
kanad_compute/kanad/benchmarks/planck_scale_34q.py
kanad_compute/kanad/benchmarks/planck_scale_audit.py
kanad_compute/kanad/benchmarks/planck_scale_calibrate.py
kanad_compute/kanad/benchmarks/planck_solver_analysis_audit.py
kanad_compute/kanad/benchmarks/run_benchmarks.py
kanad_compute/kanad/benchmarks/runner.py
kanad_compute/kanad/benchmarks/solver_protocol_matrix.py
kanad_compute/kanad/benchmarks/_archive/m5a_n2_dissociation.py
kanad_compute/kanad/benchmarks/_archive/m5b_hcn_three_points.py
kanad_compute/kanad/benchmarks/_archive/m5c_ch2_singlet_triplet.py
kanad_compute/kanad/benchmarks/_archive/m5d_lih_photodynamics.py
kanad_compute/kanad/benchmarks/_archive/m6_c2_dissociation.py
kanad_compute/kanad/benchmarks/_archive/m6_cyclobutadiene.py
kanad_compute/kanad/benchmarks/_archive/m6_f2_dissociation.py
kanad_compute/kanad/benchmarks/_archive/m6_mbenzyne.py
kanad_compute/kanad/benchmarks/_archive/m6_pbenzyne_warmup.py
kanad_compute/kanad/benchmarks/local/__init__.py
kanad_compute/kanad/benchmarks/local/tier3_adme.py
kanad_compute/kanad/benchmarks/local/tier3_props.py
kanad_compute/kanad/benchmarks/local/tier3_spectra.py
kanad_compute/kanad/benchmarks/local/tier_A_cbs_spec.py
kanad_compute/kanad/benchmarks/local/tier_A_fci.py
kanad_compute/kanad/benchmarks/local/tier_A_strong.py
kanad_compute/kanad/benchmarks/local/tier_B_basis.py
kanad_compute/kanad/benchmarks/local/tier_B_frontier.py
kanad_compute/kanad/benchmarks/local/tier_B_nevpt2.py
kanad_compute/kanad/benchmarks/local/tier_B_saexc.py
kanad_compute/kanad/benchmarks/local/tier_B_select.py
kanad_compute/kanad/benchmarks/local/tier_C_ham.py
kanad_compute/kanad/benchmarks/local/tier_C_probe.py
kanad_compute/kanad/benchmarks/local/tier_C_props.py
kanad_compute/kanad/benchmarks/local/tier_C_solvers.py
kanad_compute/kanad/benchmarks/local/tier_C_verify.py
kanad_compute/kanad/benchmarks/local/tier_W1.py
kanad_compute/kanad/benchmarks/local/tier_W1b.py
kanad_compute/kanad/benchmarks/local/tier_W2.py
kanad_compute/kanad/benchmarks/local/tier_W3.py
kanad_compute/kanad/benchmarks/local/tier_W4.py
kanad_compute/kanad/benchmarks/out/planck_full_analysis_audit.json
kanad_compute/kanad/benchmarks/out/planck_photodyn_analysis.json
kanad_compute/kanad/benchmarks/out/planck_protocol_audit.json
kanad_compute/kanad/benchmarks/out/planck_scale_audit.json
kanad_compute/kanad/benchmarks/out/planck_solver_analysis_audit.json
kanad_compute/kanad/benchmarks/qpu/__init__.py
kanad_compute/kanad/benchmarks/qpu/cloud_frontier.py
kanad_compute/kanad/benchmarks/qpu/cloud_sqd_demo.py
kanad_compute/kanad/benchmarks/qpu/ibm_batch_sqd.py
kanad_compute/kanad/benchmarks/qpu/ibm_lucj_batch.py
kanad_compute/kanad/benchmarks/qpu/ibm_sqd_demo.py
kanad_compute/kanad/benchmarks/qpu/m11c_naphthalene_heron.py
kanad_compute/kanad/benchmarks/qpu/m11d_fe2s2_heron.py
kanad_compute/kanad/benchmarks/qpu/m5_heron_reactions_dynamics.py
kanad_compute/kanad/benchmarks/qpu/m8_naphthalene_excited.py
kanad_compute/kanad/benchmarks/qpu/tier_A_qpu_fci.py
kanad_compute/kanad/benchmarks/qpu/tier_qpu.py
kanad_compute/kanad/benchmarks/qpu/tier_qpu_max.py
kanad_compute/kanad/benchmarks/scale/__init__.py
kanad_compute/kanad/benchmarks/scale/builder_sqd_crosscheck.py
kanad_compute/kanad/benchmarks/scale/m10_cube_scale.py
kanad_compute/kanad/benchmarks/scale/m10_picker_scale.py
kanad_compute/kanad/benchmarks/scale/tier3_scale.py
kanad_compute/kanad/benchmarks/scale/tier4_scale.py
kanad_compute/kanad/benchmarks/scale/tier5_frontier.py
kanad_compute/kanad/benchmarks/scale/tier_hard.py
kanad_compute/kanad/benchmarks/scale/tier_hard2.py
kanad_compute/kanad/benchmarks/scale/tier_hard_dyn.py
kanad_compute/kanad/bonds/__init__.py
kanad_compute/kanad/builder/__init__.py
kanad_compute/kanad/builder/molecular_builder.py
kanad_compute/kanad/builder/quantum_system.py
kanad_compute/kanad/builder/system_spec.py
kanad_compute/kanad/core/__init__.py
kanad_compute/kanad/core/atom.py
kanad_compute/kanad/core/configuration.py
kanad_compute/kanad/core/correlation.py
kanad_compute/kanad/core/gradients.py
kanad_compute/kanad/core/lattice.py
kanad_compute/kanad/core/molecule.py
kanad_compute/kanad/core/scf.py
kanad_compute/kanad/core/solver_result.py
kanad_compute/kanad/core/temperature.py
kanad_compute/kanad/core/active_space/__init__.py
kanad_compute/kanad/core/active_space/integral_transform.py
kanad_compute/kanad/core/active_space/selector.py
kanad_compute/kanad/core/ansatze/__init__.py
kanad_compute/kanad/core/ansatze/base_ansatz.py
kanad_compute/kanad/core/ansatze/custom_circuit_ansatz.py
kanad_compute/kanad/core/ansatze/efficient_excitation.py
kanad_compute/kanad/core/ansatze/givens_rotation_ansatz.py
kanad_compute/kanad/core/ansatze/hardware_efficient_ansatz.py
kanad_compute/kanad/core/ansatze/lucj_ansatz.py
kanad_compute/kanad/core/ansatze/lucj_ffsim_ansatz.py
kanad_compute/kanad/core/ansatze/physics_driven_ansatz.py
kanad_compute/kanad/core/bonds/__init__.py
kanad_compute/kanad/core/bonds/base_bond.py
kanad_compute/kanad/core/bonds/bond_factory.py
kanad_compute/kanad/core/bonds/covalent_bond.py
kanad_compute/kanad/core/bonds/ionic_bond.py
kanad_compute/kanad/core/bonds/metallic_bond.py
kanad_compute/kanad/core/cache/__init__.py
kanad_compute/kanad/core/cache/parameter_cache.py
kanad_compute/kanad/core/ci/__init__.py
kanad_compute/kanad/core/ci/config_recovery.py
kanad_compute/kanad/core/ci/selected_ci.py
kanad_compute/kanad/core/ci/slater_condon.py
kanad_compute/kanad/core/constants/__init__.py
kanad_compute/kanad/core/constants/atomic_data.py
kanad_compute/kanad/core/constants/conversion_factors.py
kanad_compute/kanad/core/constants/physical_constants.py
kanad_compute/kanad/core/density/__init__.py
kanad_compute/kanad/core/density/density_storage.py
kanad_compute/kanad/core/density/quantum_rdm.py
kanad_compute/kanad/core/density/sampled_rdm.py
kanad_compute/kanad/core/environment/__init__.py
kanad_compute/kanad/core/environment/integration.py
kanad_compute/kanad/core/environment/ph_effects.py
kanad_compute/kanad/core/environment/pressure.py
kanad_compute/kanad/core/environment/solvent.py
kanad_compute/kanad/core/environment/temperature.py
kanad_compute/kanad/core/error_mitigation/__init__.py
kanad_compute/kanad/core/error_mitigation/expectation.py
kanad_compute/kanad/core/error_mitigation/strategy.py
kanad_compute/kanad/core/error_mitigation/zne.py
kanad_compute/kanad/core/governance/__init__.py
kanad_compute/kanad/core/governance/protocols/__init__.py
kanad_compute/kanad/core/governance/protocols/base_protocol.py
kanad_compute/kanad/core/governance/protocols/covalent_protocol.py
kanad_compute/kanad/core/governance/protocols/ionic_protocol.py
kanad_compute/kanad/core/governance/protocols/metallic_protocol.py
kanad_compute/kanad/core/hamiltonians/__init__.py
kanad_compute/kanad/core/hamiltonians/covalent_hamiltonian.py
kanad_compute/kanad/core/hamiltonians/fast_pauli_builder.py
kanad_compute/kanad/core/hamiltonians/ionic_hamiltonian.py
kanad_compute/kanad/core/hamiltonians/metallic_hamiltonian.py
kanad_compute/kanad/core/hamiltonians/molecular_hamiltonian.py
kanad_compute/kanad/core/hamiltonians/pauli_converter.py
kanad_compute/kanad/core/hamiltonians/periodic_hamiltonian.py
kanad_compute/kanad/core/integrals/__init__.py
kanad_compute/kanad/core/integrals/basis_registry.py
kanad_compute/kanad/core/integrals/basis_sets.py
kanad_compute/kanad/core/integrals/one_electron.py
kanad_compute/kanad/core/integrals/overlap.py
kanad_compute/kanad/core/integrals/property_integrals.py
kanad_compute/kanad/core/integrals/transforms.py
kanad_compute/kanad/core/integrals/two_electron.py
kanad_compute/kanad/core/io/__init__.py
kanad_compute/kanad/core/io/crystal_builder.py
kanad_compute/kanad/core/io/smiles_parser.py
kanad_compute/kanad/core/io/xyz_io.py
kanad_compute/kanad/core/mappers/__init__.py
kanad_compute/kanad/core/mappers/base_mapper.py
kanad_compute/kanad/core/mappers/bravyi_kitaev_mapper.py
kanad_compute/kanad/core/mappers/hybrid_orbital_mapper.py
kanad_compute/kanad/core/mappers/jordan_wigner_mapper.py
kanad_compute/kanad/core/mappers/tapering.py
kanad_compute/kanad/core/models/__init__.py
kanad_compute/kanad/core/models/ionic_hubbard.py
kanad_compute/kanad/core/operators/__init__.py
kanad_compute/kanad/core/operators/bravyi_kitaev.py
kanad_compute/kanad/core/operators/excitation_operators.py
kanad_compute/kanad/core/operators/fermion_operator.py
kanad_compute/kanad/core/operators/jordan_wigner.py
kanad_compute/kanad/core/operators/spin_operators.py
kanad_compute/kanad/core/optimization/__init__.py
kanad_compute/kanad/core/optimization/geometry_optimizer.py
kanad_compute/kanad/core/optimization/orbital_optimizer.py
kanad_compute/kanad/core/representations/__init__.py
kanad_compute/kanad/core/representations/base_representation.py
kanad_compute/kanad/core/representations/lcao_representation.py
kanad_compute/kanad/core/representations/second_quantization.py
kanad_compute/kanad/core/vqe_gradients/__init__.py
kanad_compute/kanad/core/vqe_gradients/adjoint_gradient.py
kanad_compute/kanad/dynamics/__init__.py
kanad_compute/kanad/dynamics/initialization.py
kanad_compute/kanad/dynamics/integrators.py
kanad_compute/kanad/dynamics/md_simulator.py
kanad_compute/kanad/dynamics/nonadiabatic.py
kanad_compute/kanad/dynamics/photodynamics.py
kanad_compute/kanad/dynamics/quantum_forces.py
kanad_compute/kanad/dynamics/quantum_gradients.py
kanad_compute/kanad/dynamics/quantum_md.py
kanad_compute/kanad/dynamics/quantum_nac.py
kanad_compute/kanad/dynamics/spectroscopy_dynamics.py
kanad_compute/kanad/dynamics/thermostats.py
kanad_compute/kanad/dynamics/trajectory.py
kanad_compute/kanad/dynamics/open_quantum/__init__.py
kanad_compute/kanad/dynamics/open_quantum/decoherence.py
kanad_compute/kanad/dynamics/open_quantum/lindblad.py
kanad_compute/kanad/dynamics/open_quantum/quantum_bath.py
kanad_compute/kanad/reactions/__init__.py
kanad_compute/kanad/reactions/_irc.py
kanad_compute/kanad/reactions/quantum_reaction.py
kanad_compute/kanad/reactions/reaction_dynamics.py
kanad_compute/kanad/scripts/planck_battery.py
kanad_compute/kanad/solvers/__init__.py
kanad_compute/kanad/solvers/_hivqe_mixin.py
kanad_compute/kanad/solvers/base_solver.py
kanad_compute/kanad/solvers/capabilities.py
kanad_compute/kanad/solvers/ci_solver.py
kanad_compute/kanad/solvers/deterministic_ci.py
kanad_compute/kanad/solvers/excited_states_solver.py
kanad_compute/kanad/solvers/hardware_vqe.py
kanad_compute/kanad/solvers/lanczos_solver.py
kanad_compute/kanad/solvers/meta.py
kanad_compute/kanad/solvers/periodic_solver.py
kanad_compute/kanad/solvers/physics_vqe.py
kanad_compute/kanad/solvers/qeom_vqe.py
kanad_compute/kanad/solvers/registry.py
kanad_compute/kanad/solvers/sampled_subspace_vqe.py
kanad_compute/kanad/solvers/sampling_sqd.py
kanad_compute/kanad/solvers/smart_solver.py
kanad_compute/kanad/solvers/solver_router.py
kanad_compute/kanad/solvers/subspace_diagonalizer.py
kanad_compute/kanad/solvers/varqite_solver.py
kanad_compute/kanad/solvers/vqe_solver.py