Tequila Library Reference
- Hamiltonian
- Circuit
- Submodules
- circuit module
MomentQCircuitQCircuit.canonical_depthQCircuit.canonical_momentsQCircuit.depthQCircuit.gatesQCircuit.momentsQCircuit.n_qubitsQCircuit.numberingQCircuit.qubitsQCircuit.add_controls()QCircuit.canonical_depthQCircuit.canonical_momentsQCircuit.dagger()QCircuit.depthQCircuit.export_to()QCircuit.extract_variables()QCircuit.from_moments()QCircuit.gatesQCircuit.insert_gates()QCircuit.is_fully_parametrized()QCircuit.is_fully_unparametrized()QCircuit.is_mixed()QCircuit.is_primitive()QCircuit.make_parameter_map()QCircuit.map_qubits()QCircuit.map_variables()QCircuit.max_qubit()QCircuit.momentsQCircuit.n_qubitsQCircuit.numberingQCircuit.qubitsQCircuit.replace_gates()QCircuit.sort_gates()QCircuit.to_networkx()QCircuit.verify()QCircuit.wrap_gate()
find_unused_qubit()
- compiler module
CircuitCompilerTequilaCompilerExceptionchange_basis()compile_ch()compile_controlled_phase()compile_controlled_power()compile_controlled_rotation()compile_exponential_pauli_gate()compile_generalized_rotation_gate()compile_multitarget()compile_phase()compile_phase_to_z()compile_power_base()compile_power_gate()compile_ry()compile_swap()compile_to_single_control()compile_toffoli()compile_trotterized_gate()compile_y()compiler()do_compile_trotterized_gate()
- gates module
- gradient module
- noise module
- pyzx module
- qasm module
- qpic module
- Module contents
- Optimizers
- Submodules
- optimizer base module
OptimizerOptimizer.backendOptimizer.maxiterOptimizer.silentOptimizer.samplesOptimizer.print_levelOptimizer.save_historyOptimizer.historyOptimizer.noiseOptimizer.deviceOptimizer.compile_gradient()Optimizer.compile_hessian()Optimizer.compile_objective()Optimizer.initialize_variables()Optimizer.reset_history()
OptimizerHistoryOptimizerHistory.anglesOptimizerHistory.angles_callsOptimizerHistory.energiesOptimizerHistory.energies_callsOptimizerHistory.energies_evaluationsOptimizerHistory.energy_callsOptimizerHistory.extract_angles()OptimizerHistory.extract_energies()OptimizerHistory.extract_gradients()OptimizerHistory.gradient_callsOptimizerHistory.gradientsOptimizerHistory.iterationsOptimizerHistory.plot()
OptimizerResultsTequilaOptimizerException
- optimizer gradient module
DIISGDResultsOptimizerGDOptimizerGD.fOptimizerGD.gradient_lookupOptimizerGD.active_key_lookupOptimizerGD.moments_lookupOptimizerGD.moments_trajectoryOptimizerGD.step_lookupOptimizerGD.diisOptimizerGD.lrOptimizerGD.alphaOptimizerGD.gammaOptimizerGD.betaOptimizerGD.rhoOptimizerGD.cOptimizerGD.epsilonOptimizerGD.tolOptimizerGD.calibrate_lrOptimizerGD.iterationOptimizerGD.available_diis()OptimizerGD.available_methods()OptimizerGD.nextLearningRate()OptimizerGD.prepare()OptimizerGD.reset_momenta()OptimizerGD.reset_momenta_for()OptimizerGD.reset_stepper()OptimizerGD.step()
minimize()
- optimizer gpyopt module
- optimizer scipy module
OptimizerSciPyOptimizerSciPy.methodOptimizerSciPy.tolOptimizerSciPy.method_optionsOptimizerSciPy.method_boundsOptimizerSciPy.method_constraintsOptimizerSciPy.silentOptimizerSciPy.available_methods()OptimizerSciPy.gradient_based_methodsOptimizerSciPy.gradient_free_methodsOptimizerSciPy.hessian_based_methods
SciPyResultsTequilaScipyExceptionavailable_methods()minimize()
- Module contents
- Simulators
- Submodules
- simulator api module
- simulator base module
BackendCircuitBackendCircuit.no_translationBackendCircuit.abstract_circuitBackendCircuit.circuitBackendCircuit.compiler_argumentsBackendCircuit.deviceBackendCircuit.n_qubitsBackendCircuit.noiseBackendCircuit.qubit_mapBackendCircuit.qubitsBackendCircuit.create_circuit()BackendCircuit.add_parametrized_gate()BackendCircuit.add_basic_gate()BackendCircuit.add_measurement()BackendCircuit.abstract_qubitsBackendCircuit.add_basic_gate()BackendCircuit.add_measurement()BackendCircuit.add_parametrized_gate()BackendCircuit.check_device()BackendCircuit.compiler_argumentsBackendCircuit.convert_measurements()BackendCircuit.create_circuit()BackendCircuit.do_sample()BackendCircuit.do_simulate()BackendCircuit.extract_variables()BackendCircuit.initialize_circuit()BackendCircuit.initialize_qubit()BackendCircuit.make_qubit_map()BackendCircuit.n_qubitsBackendCircuit.optimize_circuit()BackendCircuit.qubit()BackendCircuit.retrieve_device()BackendCircuit.sample()BackendCircuit.sample_all_z_hamiltonian()BackendCircuit.sample_paulistring()BackendCircuit.simulate()BackendCircuit.update_variables()
BackendExpectationValueBackendExpectationValue.HBackendExpectationValue.abstract_HBackendExpectationValue.n_qubitsBackendExpectationValue.UBackendExpectationValue.initialize_hamiltonian()BackendExpectationValue.initialize_unitary()BackendExpectationValue.sample_paulistring()BackendExpectationValue.update_variables()BackendExpectationValue.BackendCircuitTypeBackendExpectationValue.HBackendExpectationValue.UBackendExpectationValue.count_measurements()BackendExpectationValue.extract_variables()BackendExpectationValue.initialize_hamiltonian()BackendExpectationValue.initialize_unitary()BackendExpectationValue.n_qubitsBackendExpectationValue.reduce_hamiltonians()BackendExpectationValue.sample()BackendExpectationValue.simulate()BackendExpectationValue.update_variables()BackendExpectationValue.use_mapping
- simulator cirq module
- simulator pyquil module
- simulator qibo module
- simulator qiskit module
- simulator qlm module
- simulator qulacs module
BackendCircuitQulacsBackendCircuitQulacs.counterBackendCircuitQulacs.has_noiseBackendCircuitQulacs.noise_lookupBackendCircuitQulacs.op_lookupBackendCircuitQulacs.variablesBackendCircuitQulacs.add_basic_gate()BackendCircuitQulacs.add_exponential_pauli_gate()BackendCircuitQulacs.add_measurement()BackendCircuitQulacs.add_noise_to_circuit()BackendCircuitQulacs.add_parametrized_gate()BackendCircuitQulacs.compiler_argumentsBackendCircuitQulacs.convert_measurements()BackendCircuitQulacs.do_sample()BackendCircuitQulacs.do_simulate()BackendCircuitQulacs.initialize_circuit()BackendCircuitQulacs.initialize_state()BackendCircuitQulacs.no_translation()BackendCircuitQulacs.numberingBackendCircuitQulacs.optimize_circuit()BackendCircuitQulacs.update_variables()
BackendExpectationValueQulacsTequilaQulacsException
- simulator qulacs gpu module
- simulator symbolic module
- Module contents
- Quantum Chemistry
- Submodules
- chemistry tools module
ActiveSpaceDataAmplitudesClosedShellAmplitudesFermionicGateImplIntegralManagerIntegralManager.active_orbitalsIntegralManager.active_reference_orbitalsIntegralManager.active_spaceIntegralManager.active_space_is_trivial()IntegralManager.basis_is_orthogonal()IntegralManager.constant_termIntegralManager.get_integrals()IntegralManager.get_orthonormalized_orbital_coefficients()IntegralManager.is_unitary()IntegralManager.one_body_integralsIntegralManager.orbital_coefficientsIntegralManager.orbitalsIntegralManager.overlap_integralsIntegralManager.print_basis_info()IntegralManager.reference_orbitalsIntegralManager.transform_orbitals()IntegralManager.transform_to_native_orbitals()IntegralManager.two_body_integralsIntegralManager.verify_orbital_coefficients()
NBodyTensorOrbitalDataParametersQCParametersQC.basis_setParametersQC.chargeParametersQC.convert_to_list()ParametersQC.descriptionParametersQC.filenameParametersQC.format_element_name()ParametersQC.frozen_coreParametersQC.geometryParametersQC.get_atom_number()ParametersQC.get_atoms()ParametersQC.get_geometry()ParametersQC.get_geometry_string()ParametersQC.get_nuc_charge()ParametersQC.get_number_of_core_electrons()ParametersQC.molecular_data_paramParametersQC.multiplicityParametersQC.n_electronsParametersQC.nameParametersQC.read_xyz_from_file()
prepare_product_state()
- encodings module
- madness interface module
QuantumChemistryMadnessQuantumChemistryMadness.cleanup()QuantumChemistryMadness.compute_energy()QuantumChemistryMadness.convert_madness_output_from_bin_to_npy()QuantumChemistryMadness.find_executable()QuantumChemistryMadness.get_pair_orbitals()QuantumChemistryMadness.get_virtual_orbitals()QuantumChemistryMadness.local_qubit_map()QuantumChemistryMadness.make_hardcore_boson_pno_upccd_ansatz()QuantumChemistryMadness.make_pno_upccgsd_ansatz()QuantumChemistryMadness.make_spa_ansatz()QuantumChemistryMadness.make_upccgsd_ansatz()QuantumChemistryMadness.make_upccgsd_indices()QuantumChemistryMadness.perturbative_f12_correction()QuantumChemistryMadness.plot2cube()QuantumChemistryMadness.read_tensors()QuantumChemistryMadness.run_madness()QuantumChemistryMadness.write_madness_input()
TequilaMadnessException
- orbital optimizer module
OptimizeOrbitalsResultPySCFVQEWrapperPySCFVQEWrapper.circuitPySCFVQEWrapper.const_partPySCFVQEWrapper.historyPySCFVQEWrapper.kernel()PySCFVQEWrapper.make_rdm12()PySCFVQEWrapper.molecule_argumentsPySCFVQEWrapper.molecule_factoryPySCFVQEWrapper.n_electronsPySCFVQEWrapper.one_body_integralsPySCFVQEWrapper.rdm1PySCFVQEWrapper.rdm2PySCFVQEWrapper.reorder()PySCFVQEWrapper.silentPySCFVQEWrapper.two_body_integralsPySCFVQEWrapper.vqe_solverPySCFVQEWrapper.vqe_solver_arguments
optimize_orbitals()
- psi4 interface module
OpenVQEEPySCFExceptionPsi4ResultsQuantumChemistryPsi4QuantumChemistryPsi4.compute_amplitudes()QuantumChemistryPsi4.compute_ccsd_amplitudes()QuantumChemistryPsi4.compute_energy()QuantumChemistryPsi4.compute_rdms()QuantumChemistryPsi4.initialize_integral_manager()QuantumChemistryPsi4.nirrepQuantumChemistryPsi4.orbital_energies()QuantumChemistryPsi4.perturbative_f12_correction()QuantumChemistryPsi4.point_groupQuantumChemistryPsi4.rdm1QuantumChemistryPsi4.rdm2
TequilaPsi4Exception
- pyscf interface module
- qc base module
QuantumChemistryBaseQuantumChemistryBase.UC()QuantumChemistryBase.UR()QuantumChemistryBase.active_spaceQuantumChemistryBase.compute_amplitudes()QuantumChemistryBase.compute_ccsd_amplitudes()QuantumChemistryBase.compute_cis_amplitudes()QuantumChemistryBase.compute_constant_part()QuantumChemistryBase.compute_energy()QuantumChemistryBase.compute_fock_matrix()QuantumChemistryBase.compute_mp2_amplitudes()QuantumChemistryBase.compute_one_body_integrals()QuantumChemistryBase.compute_rdms()QuantumChemistryBase.compute_two_body_integrals()QuantumChemistryBase.do_make_molecule()QuantumChemistryBase.format_excitation_indices()QuantumChemistryBase.from_openfermion()QuantumChemistryBase.from_tequila()QuantumChemistryBase.get_givens_circuit()QuantumChemistryBase.get_integrals()QuantumChemistryBase.get_pair_specific_indices()QuantumChemistryBase.hcb_to_me()QuantumChemistryBase.initialize_integral_manager()QuantumChemistryBase.is_canonical()QuantumChemistryBase.is_closed_shell()QuantumChemistryBase.make_annihilation_op()QuantumChemistryBase.make_ansatz()QuantumChemistryBase.make_creation_op()QuantumChemistryBase.make_excitation_gate()QuantumChemistryBase.make_excitation_generator()QuantumChemistryBase.make_hamiltonian()QuantumChemistryBase.make_hardcore_boson_excitation_gate()QuantumChemistryBase.make_hardcore_boson_hamiltonian()QuantumChemistryBase.make_hardcore_boson_upccgd_layer()QuantumChemistryBase.make_molecular_hamiltonian()QuantumChemistryBase.make_molecule()QuantumChemistryBase.make_number_op()QuantumChemistryBase.make_orbital_rotation_gate()QuantumChemistryBase.make_s2_op()QuantumChemistryBase.make_sm_op()QuantumChemistryBase.make_sp_op()QuantumChemistryBase.make_spa_ansatz()QuantumChemistryBase.make_sz_op()QuantumChemistryBase.make_uccsd_ansatz()QuantumChemistryBase.make_upccgsd_ansatz()QuantumChemistryBase.make_upccgsd_indices()QuantumChemistryBase.make_upccgsd_layer()QuantumChemistryBase.make_upccgsd_singles()QuantumChemistryBase.n_electronsQuantumChemistryBase.n_orbitalsQuantumChemistryBase.n_rotation()QuantumChemistryBase.orbitalsQuantumChemistryBase.orthonormalize_basis_orbitals()QuantumChemistryBase.perturbative_f12_correction()QuantumChemistryBase.prepare_hardcore_boson_reference()QuantumChemistryBase.prepare_reference()QuantumChemistryBase.print_basis_info()QuantumChemistryBase.rdm1QuantumChemistryBase.rdm2QuantumChemistryBase.rdm_spinsum()QuantumChemistryBase.reference_orbitalsQuantumChemistryBase.supports_ucc()QuantumChemistryBase.transform_orbitals()QuantumChemistryBase.use_native_orbitals()
get_givens_decomposition()givens_matrix()reconstruct_matrix_from_givens()
- Module contents