tangelo.algorithms package
Subpackages
- tangelo.algorithms.classical package
- Subpackages
- Submodules
- tangelo.algorithms.classical.ccsd_solver module
- tangelo.algorithms.classical.fci_solver module
- tangelo.algorithms.classical.mp2_solver module
- Module contents
- Subpackages
- tangelo.algorithms.projective package
- Subpackages
- Submodules
- tangelo.algorithms.projective.iqpe module
BuiltInUnitary
IterativeQPEControl
IterativeQPESolver
IterativeQPESolver.molecule
IterativeQPESolver.qubit_mapping
IterativeQPESolver.unitary
IterativeQPESolver.backend_options
IterativeQPESolver.simulate_options
IterativeQPESolver.penalty_terms
IterativeQPESolver.unitary_options
IterativeQPESolver.up_then_down
IterativeQPESolver.qubit_hamiltonian
IterativeQPESolver.verbose
IterativeQPESolver.projective_circuit
IterativeQPESolver.ref_state
IterativeQPESolver.size_qpe_register
IterativeQPESolver.build()
IterativeQPESolver.energy_estimation()
IterativeQPESolver.get_resources()
IterativeQPESolver.simulate()
- tangelo.algorithms.projective.qpe module
BuiltInUnitary
QPESolver
QPESolver.molecule
QPESolver.qubit_mapping
QPESolver.unitary
QPESolver.backend_options
QPESolver.simulate_options
QPESolver.penalty_terms
QPESolver.unitary_options
QPESolver.up_then_down
QPESolver.qubit_hamiltonian
QPESolver.verbose
QPESolver.projective_circuit
QPESolver.ref_state
QPESolver.size_qpe_register
QPESolver.build()
QPESolver.energy_estimation()
QPESolver.get_resources()
QPESolver.simulate()
- tangelo.algorithms.projective.quantum_imaginary_time module
QITESolver
QITESolver.molecule
QITESolver.dt
QITESolver.min_de
QITESolver.max_cycles
QITESolver.pool
QITESolver.pool_args
QITESolver.qubit_mapping
QITESolver.qubit_hamiltonian
QITESolver.up_then_down
QITESolver.n_spinorbitals
QITESolver.n_electrons
QITESolver.backend_options
QITESolver.verbose
QITESolver.build()
QITESolver.calculate_matrices()
QITESolver.energy_expectation()
QITESolver.get_resources()
QITESolver.prepare_reference_state()
QITESolver.simulate()
QITESolver.update_statevector()
- Module contents
- Subpackages
- tangelo.algorithms.variational package
- Subpackages
- Submodules
- tangelo.algorithms.variational.adapt_vqe_solver module
ADAPTSolver
ADAPTSolver.molecule
ADAPTSolver.tol
ADAPTSolver.max_cycles
ADAPTSolver.pool
ADAPTSolver.pool_args
ADAPTSolver.qubit_mapping
ADAPTSolver.qubit_hamiltonian
ADAPTSolver.up_then_down
ADAPTSolver.n_spinorbitals
ADAPTSolver.n_electrons
ADAPTSolver.spin
ADAPTSolver.optimizer
ADAPTSolver.backend_options
ADAPTSolver.simulate_options
ADAPTSolver.verbose
ADAPTSolver.deflation_circuits
ADAPTSolver.deflation_coeff
ADAPTSolver.projective_circuit
ADAPTSolver.ref_state
ADAPTSolver.LBFGSB_optimizer()
ADAPTSolver.build()
ADAPTSolver.choose_operator()
ADAPTSolver.compute_gradients()
ADAPTSolver.ferm_operators
ADAPTSolver.get_resources()
ADAPTSolver.operators
ADAPTSolver.simulate()
- tangelo.algorithms.variational.iqcc_ilc_solver module
iQCC_ILC_solver
iQCC_ILC_solver.molecule
iQCC_ILC_solver.qubit_mapping
iQCC_ILC_solver.up_then_down
iQCC_ILC_solver.initial_var_params
iQCC_ILC_solver.backend_options
iQCC_ILC_solver.penalty_terms
iQCC_ILC_solver.ilc_ansatz_options
iQCC_ILC_solver.qcc_ansatz_options
iQCC_ILC_solver.qubit_hamiltonian
iQCC_ILC_solver.max_ilc_iter
iQCC_ILC_solver.compress_qubit_ham
iQCC_ILC_solver.compress_eps
iQCC_ILC_solver.verbose
iQCC_ILC_solver.build()
iQCC_ILC_solver.get_resources()
iQCC_ILC_solver.simulate()
- tangelo.algorithms.variational.iqcc_solver module
iQCC_solver
iQCC_solver.molecule
iQCC_solver.qubit_mapping
iQCC_solver.up_then_down
iQCC_solver.initial_var_params
iQCC_solver.backend_options
iQCC_solver.penalty_terms
iQCC_solver.ansatz_options
iQCC_solver.qubit_hamiltonian
iQCC_solver.deqcc_thresh
iQCC_solver.max_iqcc_iter
iQCC_solver.max_iqcc_retries
iQCC_solver.compress_qubit_ham
iQCC_solver.compress_eps
iQCC_solver.verbose
iQCC_solver.build()
iQCC_solver.get_resources()
iQCC_solver.simulate()
- tangelo.algorithms.variational.sa_oo_vqe_solver module
SA_OO_Solver
SA_OO_Solver.tol
SA_OO_Solver.max_cycles
SA_OO_Solver.n_oo_per_iter
SA_OO_Solver.molecule
SA_OO_Solver.qubit_mapping
SA_OO_Solver.ansatz
SA_OO_Solver.optimizer
SA_OO_Solver.initial_var_params
SA_OO_Solver.backend_options
SA_OO_Solver.simulate_options
SA_OO_Solver.penalty_terms
SA_OO_Solver.ansatz_options
SA_OO_Solver.up_then_down
SA_OO_Solver.qubit_hamiltonian
SA_OO_Solver.verbose
SA_OO_Solver.projective_circuit
SA_OO_Solver.ref_states
SA_OO_Solver.weights
SA_OO_Solver.energy_from_rdms()
SA_OO_Solver.generate_oo_unitary()
SA_OO_Solver.iterate()
- tangelo.algorithms.variational.sa_vqe_solver module
SA_VQESolver
SA_VQESolver.molecule
SA_VQESolver.qubit_mapping
SA_VQESolver.ansatz
SA_VQESolver.optimizer
SA_VQESolver.initial_var_params
SA_VQESolver.backend_options
SA_VQESolver.simulate_options
SA_VQESolver.penalty_terms
SA_VQESolver.deflation_circuits
SA_VQESolver.deflation_coeff
SA_VQESolver.ansatz_options
SA_VQESolver.up_then_down
SA_VQESolver.qubit_hamiltonian
SA_VQESolver.verbose
SA_VQESolver.projective_circuit
SA_VQESolver.ref_states
SA_VQESolver.weights
SA_VQESolver.build()
SA_VQESolver.energy_estimation()
SA_VQESolver.get_resources()
SA_VQESolver.simulate()
- tangelo.algorithms.variational.tetris_adapt_vqe_solver module
- tangelo.algorithms.variational.vqe_solver module
BuiltInAnsatze
VQESolver
VQESolver.molecule
VQESolver.qubit_mapping
VQESolver.ansatz
VQESolver.optimizer
VQESolver.initial_var_params
VQESolver.backend_options
VQESolver.simulate_options
VQESolver.penalty_terms
VQESolver.deflation_circuits
VQESolver.deflation_coeff
VQESolver.ansatz_options
VQESolver.up_then_down
VQESolver.qubit_hamiltonian
VQESolver.verbose
VQESolver.projective_circuit
VQESolver.ref_state
VQESolver.save_energies
VQESolver.build()
VQESolver.energy_estimation()
VQESolver.get_rdm()
VQESolver.get_rdm_uhf()
VQESolver.get_resources()
VQESolver.operator_expectation()
VQESolver.simulate()
- Module contents
- Subpackages
Submodules
tangelo.algorithms.electronic_structure_solver module
Abstract class defining a common interface to all electronic structure solvers, in order to have consistency and ensure compatibility with higher-level workflows that can use them, such as problem decomposition methods.
- class tangelo.algorithms.electronic_structure_solver.ElectronicStructureSolver(molecule)
Bases:
ABC
Sets interface for objects that perform energy estimation of a molecule.
Specifics vary between concrete implementations, but common to all of them is that after simulate is called, the right internal state is set for the class so that get_rdm can return reduced density matrices for the last run simulation.
- abstract get_rdm()
Returns the RDM for the previous simulation. In a concrete implementation, the simulate function would set the necessary internal state for the class so that this function can return the reduced density matrix.
- Returns:
numpy.array – One-particle RDM.
numpy.array – Two-particle RDM.
- Raises:
RuntimeError – If no simulation has been run.
- abstract simulate()
Performs the simulation for a molecule.