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Introduction

  • What is InQuanto?
  • Installation
    • System Requirements
    • Troubleshooting
  • Quick-start

User Guide

  • How to use InQuanto
  • Algorithms
    • Variational Algorithms
      • Variational Quantum Eigensolver AlgorithmVQE
      • Variational Quantum Deflation AlgorithmVQD
      • ADAPT-VQE
    • Non-variational and Phase Estimation algorithms
      • Quantum Subspace Expansion AlgorithmQSE
      • Quantum Self Consistent Equation of Motion AlgorithmSCEOM
      • Canonical Quantum Phase Estimation AlgorithmDeterministicQPE
      • Iterative Phase Estimation Algorithms
    • Time evolution algorithms
      • AlgorithmVQS, AlgorithmMcLachlanRealTime and AlgorithmMcLachlanImagTime
  • Computables
    • Basic Usage and Composability
    • Evaluating Computables with Protocols
    • Composite Computables
      • Krylov subspace & Green’s functions
      • Reduced Density Matrices
      • Overlap Matrices & Non-Orthogonal Subspaces
    • Primitive Computables
    • Custom Computables & Partial Evaluations
  • Protocols
    • Protocols for expectation values
    • Protocols for overlap squared
    • Protocols for overlaps
    • Protocols for derivatives
    • Other averaging protocols
    • Protocols for Phase Estimation
    • Resource estimation
  • Noise mitigation
    • Using Qermit
    • Using InQuanto’s PMSV and SPAM
  • Spaces, Operators, and States
    • Fermionic Spaces
      • The FermionSpace Class
      • Fermion Operators & States
    • Qubit spaces, operators and states
      • Qubit Operators
      • Qubit States & Expectation Values
    • Fermion-to-Qubit Mapping
      • Custom mappings
    • Integral Operators
    • Orbital Transformation and Optimization
    • Double Factorization
  • Ansatzes
    • The UCC Family
    • Chemically Aware Ansatz
    • Trotter Ansatz
    • Fermionic Exponentiated Ansatz
    • Circuit Ansatz
    • Composed Ansatz
    • Hardware Efficient Ansatz
    • Multiconfiguration States Using Givens Rotations
    • Real Basis Rotation Ansatzes
    • Parameters
  • Symmetry
    • Finding symmetries
    • Point Group Symmetry
    • Z2 Tapering
  • Geometry
    • Molecular Systems
      • Initializing Structures
      • Calculating and Modifying Properties
      • Calculating and Modifying Properties By Group
      • Generating Many Structures
    • Periodic systems
  • Classical Minimizers
    • MinimizerScipy
    • MinimizerRotosolve
    • MinimizerSGD
    • Minimizer SPSA
  • Density Matrix Embedding Theory
    • Impurity DMET
    • One-shot DMET
    • Full DMET with correlation matrix
    • Custom fragments
    • DMET for model systems and other Hamiltonians
  • Express
    • Express methods
    • Model hamiltonians
    • List of Express files

Tutorials & Examples

  • Tutorials
  • Core Tutorials
    • A basic VQE simulation
    • Extended VQE
    • Variational Quantum Deflation for excited states
    • Visualization with inquanto-nglview
  • Backend Tutorials
    • Running on the Aer simulator
    • Running on Quantinuum H-Series
    • Quantinuum H-Series - Launching circuits and retrieving results
    • Quantinuum H-Series - Quantum Subspace Expansion
    • Quantinuum H-Series
    • IBMQ Setup
  • Case Study Tutorials - Fe4N2
    • Fe4N2 - 1 - system construction with AVAS and CASSCF
    • Fe4N2 - 2 - circuit construction with ADAPT-VQE
    • Fe4N2 - 3 - calculations on the H-series
  • Fragmentation Tutorials
    • Tackling larger systems with fragmentation
    • Projection-based embedding
    • NEVPT2 and AC0 energy corrections
    • Projection-based embedding with energy corrections
  • Examples

Extensions User Guide

  • Extensions overview
  • InQuanto-PySCF
    • Basic usage
    • Generating a driver from a PySCF object
    • Periodic systems
    • Classical post-HF calculations
    • InQuanto-PySCF driver classes
    • Active space specification and AVAS
    • Energy correction with NEVPT2 and AC0
    • Hamiltonians for Embedding methods
    • DMET with PySCF fragment solvers
      • Impurity DMET
      • One-shot DMET and full DMET
    • DMET with a custom solver
    • Other PySCF Hamiltonians for DMET
    • FMO with a custom solver
    • QM/MM
    • COSMO
  • InQuanto-NGLView
    • Visualizing Structures
    • Visualizing Fragments
    • Visualizing Orbitals
  • InQuanto-Phayes
  • Extensions examples

API Reference

  • InQuanto
    • inquanto.algorithms
      • Variational
        • AlgorithmFermionicAdaptVQE
        • AlgorithmAdaptVQE
        • AlgorithmIQEB
        • AlgorithmVQE
        • AlgorithmVQD
      • Non-variational
        • AlgorithmQSE
        • AlgorithmSCEOM
      • Phase estimation
        • AlgorithmDeterministicQPE
        • AlgorithmInfoTheoryQPE
        • AlgorithmKitaevQPE
      • Time evolution
        • AlgorithmVQS
        • AlgorithmMcLachlanRealTime
        • AlgorithmMcLachlanImagTime
    • inquanto.ansatzes
      • Basic ansatzes
        • GeneralAnsatz
        • CircuitAnsatz
        • ComposedAnsatz
        • TrotterAnsatz
        • reference_circuit_builder()
      • Fermion Space ansatzes
        • FermionSpaceStateExp
        • FermionSpaceAnsatzUCCSD
        • FermionSpaceAnsatzUCCD
        • FermionSpaceStateExpChemicallyAware
        • FermionSpaceAnsatzChemicallyAwareUCCSD
        • FermionSpaceAnsatzkUpCCGD
        • FermionSpaceAnsatzkUpCCGSD
        • FermionSpaceAnsatzkUpCCGSDSinglet
        • FermionSpaceAnsatzUCCGD
        • FermionSpaceAnsatzUCCGSD
        • FermionSpaceAnsatzUCCSDSinglet
      • Multi-configurational ansatzes
        • MultiConfigurationAnsatz
        • MultiConfigurationState
        • MultiConfigurationStateBox
      • Rotational ansatzes
        • RealGeneralizedBasisRotationAnsatz
        • RealRestrictedBasisRotationAnsatz
        • RealUnrestrictedBasisRotationAnsatz
        • generalized_basis_rotation_to_circuit()
        • restricted_basis_rotation_to_circuit()
        • unrestricted_basis_rotation_to_circuit()
        • rotate_ansatz_restricted()
      • Other ansatzes
        • HamiltonianVariationalAnsatz
        • LayeredAnsatz
        • HardwareEfficientAnsatz
    • inquanto.computables
      • inquanto.computables.atomic
        • ExpectationValue
        • ExpectationValueBraDerivativeImag
        • ExpectationValueBraDerivativeReal
        • ExpectationValueDerivative
        • ExpectationValueKetDerivativeImag
        • ExpectationValueKetDerivativeReal
        • ExpectationValueNonHermitian
        • MetricTensorImag
        • MetricTensorReal
        • Overlap
        • OverlapImag
        • OverlapReal
        • OverlapSquared
      • inquanto.computables.primitive
        • ComputableFunction
        • ComputableInt
        • ComputableList
        • ComputableNDArray
        • ComputableNode
        • ComputableSingleChild
        • ComputableTuple
        • Evaluatable
      • inquanto.computables.composite
        • CommutatorComputable
        • ExpectationValueSumComputable
        • HoleGFComputable
        • KrylovSubspace
        • KrylovSubspaceComputable
        • LanczosCoefficientsComputable
        • LanczosMatrixComputable
        • ManyBodyGFComputable
        • NonOrthogonalMatricesComputable
        • OverlapMatrixComputable
        • PDM1234RealComputable
        • ParticleGFComputable
        • QCM4Computable
        • QSEMatricesComputable
        • RDM1234RealComputable
        • RestrictedOneBodyRDMComputable
        • RestrictedOneBodyRDMRealComputable
        • SCEOMMatrixComputable
        • SpinlessNBodyPDMArrayRealComputable
        • SpinlessNBodyRDMArrayRealComputable
        • UnrestrictedOneBodyRDMComputable
        • UnrestrictedOneBodyRDMRealComputable
    • inquanto.core
      • Parameters Classes
        • SymbolDict
        • SymbolSet
      • Cache
        • Cache
        • CacheLevels
        • CacheSizeUnit
      • Logging and Timing
        • Timer
        • TimerWith
        • InQuantoContext
      • Methods
        • dict_to_matrix()
        • dict_to_vector()
        • matrix_to_dict()
        • pd_safe_eigh()
        • vector_to_dict()
    • inquanto.embeddings
      • DMET
        • DMETRHF
        • DMETRHFFragment
        • DMETRHFFragmentActive
        • DMETRHFFragmentDirect
        • DMETRHFFragmentUCCSDVQE
        • ImpurityDMETROHF
        • ImpurityDMETROHFFragment
        • ImpurityDMETROHFFragmentActive
        • ImpurityDMETROHFFragmentED
        • ImpurityDMETROHFFragmentWithoutRDM
    • inquanto.express
      • Express drivers
        • DriverGeneralizedHubbard
        • DriverHubbardDimer
        • DriverIsingCustomConnectivity
        • DriverIsing1D
        • DriverIsing1DRing
      • Express functions
        • get_noisy_backend()
        • get_system()
        • list_h5()
        • load_h5()
        • propagate()
        • random_circuit_ansatz()
        • run_rhf()
        • run_rohf()
        • run_time_evolution()
        • run_vqe()
        • save_h5_system()
    • inquanto.geometries
      • GeometryMolecular
        • GeometryMolecular.add_atom()
        • GeometryMolecular.align_bond_to_axis()
        • GeometryMolecular.align_bond_to_vector()
        • GeometryMolecular.align_to_plane()
        • GeometryMolecular.align_to_xy_plane()
        • GeometryMolecular.align_to_xz_plane()
        • GeometryMolecular.align_to_yz_plane()
        • GeometryMolecular.atomic_coordinates
        • GeometryMolecular.bond_angle()
        • GeometryMolecular.bond_length()
        • GeometryMolecular.build_2atom_chain()
        • GeometryMolecular.build_alternating_ring()
        • GeometryMolecular.build_rectangle()
        • GeometryMolecular.build_ring()
        • GeometryMolecular.compute_distance_matrix()
        • GeometryMolecular.dataframe
        • GeometryMolecular.delete_atom()
        • GeometryMolecular.df_to_xyz()
        • GeometryMolecular.dihedral_angle()
        • GeometryMolecular.elements
        • GeometryMolecular.from_xyz_string()
        • GeometryMolecular.load_csv()
        • GeometryMolecular.load_json()
        • GeometryMolecular.load_xyz()
        • GeometryMolecular.load_zmatrix()
        • GeometryMolecular.modify_bond_angle()
        • GeometryMolecular.modify_bond_angle_by_group()
        • GeometryMolecular.modify_bond_length()
        • GeometryMolecular.modify_bond_length_by_group()
        • GeometryMolecular.modify_dihedral_angle()
        • GeometryMolecular.modify_dihedral_angle_by_group()
        • GeometryMolecular.randomize_xyz()
        • GeometryMolecular.rescale_position_vectors()
        • GeometryMolecular.rotate_around_axis()
        • GeometryMolecular.rotate_around_vector()
        • GeometryMolecular.save_csv()
        • GeometryMolecular.save_json()
        • GeometryMolecular.save_xyz()
        • GeometryMolecular.save_zmatrix()
        • GeometryMolecular.scan_bond_angle()
        • GeometryMolecular.scan_bond_angle_by_group()
        • GeometryMolecular.scan_bond_length()
        • GeometryMolecular.scan_bond_length_by_group()
        • GeometryMolecular.scan_dihedral_angle()
        • GeometryMolecular.scan_dihedral_angle_by_group()
        • GeometryMolecular.set_groups()
        • GeometryMolecular.set_subgroups()
        • GeometryMolecular.to_angstrom()
        • GeometryMolecular.to_bohr()
        • GeometryMolecular.to_zmatrix()
        • GeometryMolecular.translate_by_vector()
        • GeometryMolecular.xyz
        • GeometryMolecular.xyz_to_df()
        • GeometryMolecular.zmatrix
        • GeometryMolecular.zmatrix_to_df()
      • GeometryPeriodic
        • GeometryPeriodic.add_atom()
        • GeometryPeriodic.align_bond_to_axis()
        • GeometryPeriodic.align_bond_to_vector()
        • GeometryPeriodic.align_to_plane()
        • GeometryPeriodic.align_to_xy_plane()
        • GeometryPeriodic.align_to_xz_plane()
        • GeometryPeriodic.align_to_yz_plane()
        • GeometryPeriodic.atomic_coordinates
        • GeometryPeriodic.bond_angle()
        • GeometryPeriodic.bond_length()
        • GeometryPeriodic.build_2atom_chain()
        • GeometryPeriodic.build_alternating_ring()
        • GeometryPeriodic.build_rectangle()
        • GeometryPeriodic.build_ring()
        • GeometryPeriodic.build_supercell()
        • GeometryPeriodic.compute_distance_matrix()
        • GeometryPeriodic.dataframe
        • GeometryPeriodic.delete_atom()
        • GeometryPeriodic.df_to_xyz()
        • GeometryPeriodic.dihedral_angle()
        • GeometryPeriodic.elements
        • GeometryPeriodic.from_xyz_string()
        • GeometryPeriodic.load_csv()
        • GeometryPeriodic.load_json()
        • GeometryPeriodic.load_xyz()
        • GeometryPeriodic.modify_bond_angle()
        • GeometryPeriodic.modify_bond_angle_by_group()
        • GeometryPeriodic.modify_bond_length()
        • GeometryPeriodic.modify_bond_length_by_group()
        • GeometryPeriodic.modify_dihedral_angle()
        • GeometryPeriodic.modify_dihedral_angle_by_group()
        • GeometryPeriodic.randomize_xyz()
        • GeometryPeriodic.rescale_position_vectors()
        • GeometryPeriodic.rotate_around_axis()
        • GeometryPeriodic.rotate_around_vector()
        • GeometryPeriodic.save_csv()
        • GeometryPeriodic.save_json()
        • GeometryPeriodic.save_xyz()
        • GeometryPeriodic.scan_bond_angle()
        • GeometryPeriodic.scan_bond_angle_by_group()
        • GeometryPeriodic.scan_bond_length()
        • GeometryPeriodic.scan_bond_length_by_group()
        • GeometryPeriodic.scan_dihedral_angle()
        • GeometryPeriodic.scan_dihedral_angle_by_group()
        • GeometryPeriodic.set_groups()
        • GeometryPeriodic.set_subgroups()
        • GeometryPeriodic.to_angstrom()
        • GeometryPeriodic.to_bohr()
        • GeometryPeriodic.translate_by_vector()
        • GeometryPeriodic.xyz
        • GeometryPeriodic.xyz_to_df()
    • inquanto.mappings
      • QubitMapping
        • QubitMapping.OPERATOR_MAP_TYPES
        • QubitMapping._MAPPING_FLAGS
        • QubitMapping.flip_set()
        • QubitMapping.operator_map()
        • QubitMapping.parity_set()
        • QubitMapping.rho_set()
        • QubitMapping.state_map()
        • QubitMapping.state_map_conventional()
        • QubitMapping.state_map_matrix()
        • QubitMapping.update_set()
      • QubitMappingJordanWigner
        • QubitMappingJordanWigner.OPERATOR_MAP_TYPES
        • QubitMappingJordanWigner._MAPPING_FLAGS
        • QubitMappingJordanWigner.flip_set()
        • QubitMappingJordanWigner.operator_map()
        • QubitMappingJordanWigner.parity_set()
        • QubitMappingJordanWigner.rho_set()
        • QubitMappingJordanWigner.state_map()
        • QubitMappingJordanWigner.state_map_conventional()
        • QubitMappingJordanWigner.state_map_matrix()
        • QubitMappingJordanWigner.update_set()
      • QubitMappingBravyiKitaev
        • QubitMappingBravyiKitaev.OPERATOR_MAP_TYPES
        • QubitMappingBravyiKitaev._MAPPING_FLAGS
        • QubitMappingBravyiKitaev.flip_set()
        • QubitMappingBravyiKitaev.operator_map()
        • QubitMappingBravyiKitaev.parity_set()
        • QubitMappingBravyiKitaev.remainder_set()
        • QubitMappingBravyiKitaev.rho_set()
        • QubitMappingBravyiKitaev.state_map()
        • QubitMappingBravyiKitaev.state_map_conventional()
        • QubitMappingBravyiKitaev.state_map_matrix()
        • QubitMappingBravyiKitaev.update_set()
      • QubitMappingParity
        • QubitMappingParity.OPERATOR_MAP_TYPES
        • QubitMappingParity._MAPPING_FLAGS
        • QubitMappingParity.flip_set()
        • QubitMappingParity.operator_map()
        • QubitMappingParity.parity_set()
        • QubitMappingParity.rho_set()
        • QubitMappingParity.state_map()
        • QubitMappingParity.state_map_conventional()
        • QubitMappingParity.state_map_matrix()
        • QubitMappingParity.update_set()
      • QubitMappingParaparticular
        • QubitMappingParaparticular.OPERATOR_MAP_TYPES
        • QubitMappingParaparticular._MAPPING_FLAGS
        • QubitMappingParaparticular.flip_set()
        • QubitMappingParaparticular.operator_map()
        • QubitMappingParaparticular.parity_set()
        • QubitMappingParaparticular.rho_set()
        • QubitMappingParaparticular.state_map()
        • QubitMappingParaparticular.state_map_conventional()
        • QubitMappingParaparticular.state_map_matrix()
        • QubitMappingParaparticular.update_set()
    • inquanto.minimizers
      • MinimizerRotosolve
        • MinimizerRotosolve.generate_report()
        • MinimizerRotosolve.minimize()
      • MinimizerSGD
        • MinimizerSGD.generate_report()
        • MinimizerSGD.minimize()
      • MinimizerSPSA
        • MinimizerSPSA.generate_report()
        • MinimizerSPSA.minimize()
      • MinimizerScipy
        • MinimizerScipy.generate_report()
        • MinimizerScipy.method
        • MinimizerScipy.minimize()
        • MinimizerScipy.options
      • NaiveEulerIntegrator
        • NaiveEulerIntegrator.linear_solver_scipy_linalg()
        • NaiveEulerIntegrator.linear_solver_scipy_pinvh()
        • NaiveEulerIntegrator.solve()
      • OptimizationMethod
        • OptimizationMethod.L_BFGS_B_smooth
        • OptimizationMethod.L_BFGS_B_coarse
        • OptimizationMethod.L_BFGS_B_coarse
        • OptimizationMethod.L_BFGS_B_smooth
      • ScipyIVPIntegrator
        • ScipyIVPIntegrator.linear_solver_scipy_linalg()
        • ScipyIVPIntegrator.linear_solver_scipy_pinvh()
        • ScipyIVPIntegrator.solve()
      • ScipyODEIntegrator
        • ScipyODEIntegrator.linear_solver_scipy_linalg()
        • ScipyODEIntegrator.linear_solver_scipy_pinvh()
        • ScipyODEIntegrator.solve()
    • inquanto.operators
      • ChemistryRestrictedIntegralOperator
        • ChemistryRestrictedIntegralOperator.TOLERANCE
        • ChemistryRestrictedIntegralOperator.approx_equal()
        • ChemistryRestrictedIntegralOperator.astype()
        • ChemistryRestrictedIntegralOperator.copy()
        • ChemistryRestrictedIntegralOperator.df()
        • ChemistryRestrictedIntegralOperator.double_factorize()
        • ChemistryRestrictedIntegralOperator.dtype
        • ChemistryRestrictedIntegralOperator.effective_potential()
        • ChemistryRestrictedIntegralOperator.effective_potential_spin()
        • ChemistryRestrictedIntegralOperator.energy()
        • ChemistryRestrictedIntegralOperator.energy_electron_mean_field()
        • ChemistryRestrictedIntegralOperator.from_FermionOperator()
        • ChemistryRestrictedIntegralOperator.from_fcidump()
        • ChemistryRestrictedIntegralOperator.imag
        • ChemistryRestrictedIntegralOperator.items()
        • ChemistryRestrictedIntegralOperator.load_h5()
        • ChemistryRestrictedIntegralOperator.norm()
        • ChemistryRestrictedIntegralOperator.print_table()
        • ChemistryRestrictedIntegralOperator.qubit_encode()
        • ChemistryRestrictedIntegralOperator.real
        • ChemistryRestrictedIntegralOperator.rotate()
        • ChemistryRestrictedIntegralOperator.save_h5()
        • ChemistryRestrictedIntegralOperator.to_FermionOperator()
        • ChemistryRestrictedIntegralOperator.to_compact_integral_operator()
        • ChemistryRestrictedIntegralOperator.two_body_iijj()
      • ChemistryRestrictedIntegralOperatorCompact
        • ChemistryRestrictedIntegralOperatorCompact.TOLERANCE
        • ChemistryRestrictedIntegralOperatorCompact.approx_equal()
        • ChemistryRestrictedIntegralOperatorCompact.astype()
        • ChemistryRestrictedIntegralOperatorCompact.copy()
        • ChemistryRestrictedIntegralOperatorCompact.df()
        • ChemistryRestrictedIntegralOperatorCompact.double_factorize()
        • ChemistryRestrictedIntegralOperatorCompact.dtype
        • ChemistryRestrictedIntegralOperatorCompact.effective_potential()
        • ChemistryRestrictedIntegralOperatorCompact.effective_potential_spin()
        • ChemistryRestrictedIntegralOperatorCompact.energy()
        • ChemistryRestrictedIntegralOperatorCompact.energy_electron_mean_field()
        • ChemistryRestrictedIntegralOperatorCompact.from_FermionOperator()
        • ChemistryRestrictedIntegralOperatorCompact.imag
        • ChemistryRestrictedIntegralOperatorCompact.items()
        • ChemistryRestrictedIntegralOperatorCompact.load_h5()
        • ChemistryRestrictedIntegralOperatorCompact.norm()
        • ChemistryRestrictedIntegralOperatorCompact.print_table()
        • ChemistryRestrictedIntegralOperatorCompact.qubit_encode()
        • ChemistryRestrictedIntegralOperatorCompact.real
        • ChemistryRestrictedIntegralOperatorCompact.rotate()
        • ChemistryRestrictedIntegralOperatorCompact.save_h5()
        • ChemistryRestrictedIntegralOperatorCompact.to_FermionOperator()
        • ChemistryRestrictedIntegralOperatorCompact.to_uncompacted_integral_operator()
        • ChemistryRestrictedIntegralOperatorCompact.two_body_iijj()
      • ChemistryUnrestrictedIntegralOperator
        • ChemistryUnrestrictedIntegralOperator.TOLERANCE
        • ChemistryUnrestrictedIntegralOperator.approx_equal()
        • ChemistryUnrestrictedIntegralOperator.copy()
        • ChemistryUnrestrictedIntegralOperator.df()
        • ChemistryUnrestrictedIntegralOperator.double_factorize()
        • ChemistryUnrestrictedIntegralOperator.effective_potential()
        • ChemistryUnrestrictedIntegralOperator.energy()
        • ChemistryUnrestrictedIntegralOperator.energy_electron_mean_field()
        • ChemistryUnrestrictedIntegralOperator.from_FermionOperator()
        • ChemistryUnrestrictedIntegralOperator.items()
        • ChemistryUnrestrictedIntegralOperator.load_h5()
        • ChemistryUnrestrictedIntegralOperator.print_table()
        • ChemistryUnrestrictedIntegralOperator.qubit_encode()
        • ChemistryUnrestrictedIntegralOperator.rotate()
        • ChemistryUnrestrictedIntegralOperator.save_h5()
        • ChemistryUnrestrictedIntegralOperator.to_FermionOperator()
        • ChemistryUnrestrictedIntegralOperator.to_compact_integral_operator()
      • ChemistryUnrestrictedIntegralOperatorCompact
        • ChemistryUnrestrictedIntegralOperatorCompact.TOLERANCE
        • ChemistryUnrestrictedIntegralOperatorCompact.approx_equal()
        • ChemistryUnrestrictedIntegralOperatorCompact.copy()
        • ChemistryUnrestrictedIntegralOperatorCompact.df()
        • ChemistryUnrestrictedIntegralOperatorCompact.double_factorize()
        • ChemistryUnrestrictedIntegralOperatorCompact.effective_potential()
        • ChemistryUnrestrictedIntegralOperatorCompact.energy()
        • ChemistryUnrestrictedIntegralOperatorCompact.energy_electron_mean_field()
        • ChemistryUnrestrictedIntegralOperatorCompact.from_FermionOperator()
        • ChemistryUnrestrictedIntegralOperatorCompact.items()
        • ChemistryUnrestrictedIntegralOperatorCompact.load_h5()
        • ChemistryUnrestrictedIntegralOperatorCompact.print_table()
        • ChemistryUnrestrictedIntegralOperatorCompact.qubit_encode()
        • ChemistryUnrestrictedIntegralOperatorCompact.rotate()
        • ChemistryUnrestrictedIntegralOperatorCompact.save_h5()
        • ChemistryUnrestrictedIntegralOperatorCompact.to_FermionOperator()
        • ChemistryUnrestrictedIntegralOperatorCompact.to_uncompacted_integral_operator()
      • CompactTwoBodyIntegralsS4
        • CompactTwoBodyIntegralsS4.astype()
        • CompactTwoBodyIntegralsS4.check_s4_symmetry()
        • CompactTwoBodyIntegralsS4.dtype
        • CompactTwoBodyIntegralsS4.from_uncompacted_integrals()
        • CompactTwoBodyIntegralsS4.imag
        • CompactTwoBodyIntegralsS4.pairs()
        • CompactTwoBodyIntegralsS4.real
        • CompactTwoBodyIntegralsS4.rotate()
        • CompactTwoBodyIntegralsS4.shape
      • CompactTwoBodyIntegralsS8
        • CompactTwoBodyIntegralsS8.astype()
        • CompactTwoBodyIntegralsS8.check_s8_symmetry()
        • CompactTwoBodyIntegralsS8.dtype
        • CompactTwoBodyIntegralsS8.from_uncompacted_integrals()
        • CompactTwoBodyIntegralsS8.imag
        • CompactTwoBodyIntegralsS8.pairs()
        • CompactTwoBodyIntegralsS8.real
        • CompactTwoBodyIntegralsS8.rotate()
        • CompactTwoBodyIntegralsS8.shape
      • DecompositionMethod
        • DecompositionMethod.CHOLESKY
        • DecompositionMethod.EIG
      • DoubleFactorizedHamiltonian
        • DoubleFactorizedHamiltonian.items()
      • FCIDumpRestricted
        • FCIDumpRestricted.get_system_specification()
        • FCIDumpRestricted.load()
        • FCIDumpRestricted.one_body_to_array()
        • FCIDumpRestricted.to_ChemistryRestrictedIntegralOperator()
        • FCIDumpRestricted.to_arrays()
        • FCIDumpRestricted.two_body_to_tensor()
        • FCIDumpRestricted.write()
      • FermionOperator
        • FermionOperator.TrotterizeCoefficientsLocation
        • FermionOperator.apply_bra()
        • FermionOperator.apply_ket()
        • FermionOperator.approx_equal_to()
        • FermionOperator.approx_equal_to_by_random_subs()
        • FermionOperator.as_scalar()
        • FermionOperator.ca()
        • FermionOperator.caca()
        • FermionOperator.ccaa()
        • FermionOperator.clone()
        • FermionOperator.coefficients
        • FermionOperator.commutator()
        • FermionOperator.commutes_with()
        • FermionOperator.compress()
        • FermionOperator.constant()
        • FermionOperator.copy()
        • FermionOperator.dagger()
        • FermionOperator.df()
        • FermionOperator.empty()
        • FermionOperator.evalf()
        • FermionOperator.free_symbols()
        • FermionOperator.free_symbols_ordered()
        • FermionOperator.freeze()
        • FermionOperator.from_list()
        • FermionOperator.from_string()
        • FermionOperator.from_tuple()
        • FermionOperator.identity()
        • FermionOperator.infer_num_spin_orbs()
        • FermionOperator.is_all_coeff_complex()
        • FermionOperator.is_all_coeff_imag()
        • FermionOperator.is_all_coeff_real()
        • FermionOperator.is_all_coeff_symbolic()
        • FermionOperator.is_antihermitian()
        • FermionOperator.is_any_coeff_complex()
        • FermionOperator.is_any_coeff_imag()
        • FermionOperator.is_any_coeff_real()
        • FermionOperator.is_any_coeff_symbolic()
        • FermionOperator.is_commuting_operator()
        • FermionOperator.is_hermitian()
        • FermionOperator.is_normal_ordered()
        • FermionOperator.is_normalized()
        • FermionOperator.is_parallel_with()
        • FermionOperator.is_self_inverse()
        • FermionOperator.is_two_body_number_conserving()
        • FermionOperator.is_unit_1norm()
        • FermionOperator.is_unit_2norm()
        • FermionOperator.is_unit_norm()
        • FermionOperator.is_unitary()
        • FermionOperator.items()
        • FermionOperator.key_from_str()
        • FermionOperator.list_class
        • FermionOperator.make_hashable()
        • FermionOperator.map()
        • FermionOperator.n_symbols
        • FermionOperator.norm_coefficients()
        • FermionOperator.normal_ordered()
        • FermionOperator.normalized()
        • FermionOperator.num_spin_orbs
        • FermionOperator.permuted_operator()
        • FermionOperator.print_table()
        • FermionOperator.qubit_encode()
        • FermionOperator.remove_global_phase()
        • FermionOperator.reversed_order()
        • FermionOperator.set_global_phase()
        • FermionOperator.simplify()
        • FermionOperator.split()
        • FermionOperator.subs()
        • FermionOperator.symbol_substitution()
        • FermionOperator.sympify()
        • FermionOperator.terms
        • FermionOperator.to_ChemistryRestrictedIntegralOperator()
        • FermionOperator.to_ChemistryUnrestrictedIntegralOperator()
        • FermionOperator.to_latex()
        • FermionOperator.trotterize()
        • FermionOperator.truncated()
        • FermionOperator.unsympify()
        • FermionOperator.zero()
      • FermionOperatorList
        • FermionOperatorList.CompressScalarsBehavior
        • FermionOperatorList.FactoryCoefficientsLocation
        • FermionOperatorList.clone()
        • FermionOperatorList.collapse_as_linear_combination()
        • FermionOperatorList.collapse_as_product()
        • FermionOperatorList.compress_scalars_as_product()
        • FermionOperatorList.copy()
        • FermionOperatorList.df()
        • FermionOperatorList.empty()
        • FermionOperatorList.evalf()
        • FermionOperatorList.free_symbols()
        • FermionOperatorList.free_symbols_ordered()
        • FermionOperatorList.from_Operator()
        • FermionOperatorList.from_string()
        • FermionOperatorList.infer_num_spin_orbs()
        • FermionOperatorList.items()
        • FermionOperatorList.make_hashable()
        • FermionOperatorList.map()
        • FermionOperatorList.n_symbols
        • FermionOperatorList.num_spin_orbs
        • FermionOperatorList.operator_class
        • FermionOperatorList.print_table()
        • FermionOperatorList.qubit_encode()
        • FermionOperatorList.retrotterize()
        • FermionOperatorList.reversed_order()
        • FermionOperatorList.simplify()
        • FermionOperatorList.split()
        • FermionOperatorList.sublist()
        • FermionOperatorList.subs()
        • FermionOperatorList.symbol_substitution()
        • FermionOperatorList.sympify()
        • FermionOperatorList.trotterize_as_linear_combination()
        • FermionOperatorList.unsympify()
        • FermionOperatorList.untrotterize()
        • FermionOperatorList.untrotterize_partitioned()
      • FermionOperatorString
        • FermionOperatorString.FERMION_ANNIHILATION
        • FermionOperatorString.FERMION_CREATION
        • FermionOperatorString.apply_bra()
        • FermionOperatorString.apply_ket()
        • FermionOperatorString.apply_state()
        • FermionOperatorString.dagger()
        • FermionOperatorString.from_string()
        • FermionOperatorString.is_empty()
        • FermionOperatorString.is_particle_conserving()
        • FermionOperatorString.items()
        • FermionOperatorString.to_latex()
      • IntegralType
        • IntegralType.RESTRICTED
        • IntegralType.UNRESTRICTED
      • OrbitalOptimizer
        • OrbitalOptimizer.compute_unitary()
        • OrbitalOptimizer.construct_random_variables()
        • OrbitalOptimizer.generate_report()
        • OrbitalOptimizer.gram_schmidt()
        • OrbitalOptimizer.map_variables_to_rotation_matrix()
        • OrbitalOptimizer.map_variables_to_skew_matrix()
        • OrbitalOptimizer.optimize()
        • OrbitalOptimizer.orthonormalize()
        • OrbitalOptimizer.transform()
      • OrbitalTransformer
        • OrbitalTransformer.compute_unitary()
        • OrbitalTransformer.gram_schmidt()
        • OrbitalTransformer.orthonormalize()
        • OrbitalTransformer.transform()
      • QubitOperator
        • QubitOperator.TrotterizeCoefficientsLocation
        • QubitOperator.all_nontrivial_qubits
        • QubitOperator.all_qubits
        • QubitOperator.anticommutator()
        • QubitOperator.anticommutes_with()
        • QubitOperator.antihermitian_part()
        • QubitOperator.approx_equal_to()
        • QubitOperator.approx_equal_to_by_random_subs()
        • QubitOperator.as_scalar()
        • QubitOperator.clone()
        • QubitOperator.coefficients
        • QubitOperator.commutator()
        • QubitOperator.commutes_with()
        • QubitOperator.compress()
        • QubitOperator.copy()
        • QubitOperator.dagger()
        • QubitOperator.df()
        • QubitOperator.dot_state()
        • QubitOperator.eigenspectrum()
        • QubitOperator.empty()
        • QubitOperator.ensure_hermitian()
        • QubitOperator.evalf()
        • QubitOperator.exponentiate_commuting_operator()
        • QubitOperator.exponentiate_single_term()
        • QubitOperator.free_symbols()
        • QubitOperator.free_symbols_ordered()
        • QubitOperator.from_QubitPauliOperator()
        • QubitOperator.from_list()
        • QubitOperator.from_string()
        • QubitOperator.get()
        • QubitOperator.hermitian_factorisation()
        • QubitOperator.hermitian_part()
        • QubitOperator.identity()
        • QubitOperator.is_all_coeff_complex()
        • QubitOperator.is_all_coeff_imag()
        • QubitOperator.is_all_coeff_real()
        • QubitOperator.is_all_coeff_symbolic()
        • QubitOperator.is_antihermitian()
        • QubitOperator.is_any_coeff_complex()
        • QubitOperator.is_any_coeff_imag()
        • QubitOperator.is_any_coeff_real()
        • QubitOperator.is_any_coeff_symbolic()
        • QubitOperator.is_commuting_operator()
        • QubitOperator.is_hermitian()
        • QubitOperator.is_hermitian_coeff()
        • QubitOperator.is_normalized()
        • QubitOperator.is_parallel_with()
        • QubitOperator.is_self_inverse()
        • QubitOperator.is_unit_1norm()
        • QubitOperator.is_unit_2norm()
        • QubitOperator.is_unit_norm()
        • QubitOperator.is_unitary()
        • QubitOperator.items()
        • QubitOperator.key_from_str()
        • QubitOperator.list_class
        • QubitOperator.make_hashable()
        • QubitOperator.map()
        • QubitOperator.n_symbols
        • QubitOperator.norm_coefficients()
        • QubitOperator.normalized()
        • QubitOperator.pad()
        • QubitOperator.padded()
        • QubitOperator.pauli_strings
        • QubitOperator.print_table()
        • QubitOperator.qubitwise_anticommutes_with()
        • QubitOperator.qubitwise_commutes_with()
        • QubitOperator.remove_global_phase()
        • QubitOperator.reversed_order()
        • QubitOperator.set_global_phase()
        • QubitOperator.simplify()
        • QubitOperator.split()
        • QubitOperator.state_expectation()
        • QubitOperator.subs()
        • QubitOperator.symbol_substitution()
        • QubitOperator.sympify()
        • QubitOperator.symplectic_representation()
        • QubitOperator.terms
        • QubitOperator.to_QubitPauliOperator()
        • QubitOperator.to_latex()
        • QubitOperator.to_list()
        • QubitOperator.to_sparse_matrix()
        • QubitOperator.toeplitz_decomposition()
        • QubitOperator.totally_commuting_decomposition()
        • QubitOperator.trotterize()
        • QubitOperator.unsympify()
        • QubitOperator.zero()
      • QubitOperatorList
        • QubitOperatorList.CompressScalarsBehavior
        • QubitOperatorList.ExpandExponentialProductCoefficientsBehavior
        • QubitOperatorList.FactoryCoefficientsLocation
        • QubitOperatorList.all_nontrivial_qubits
        • QubitOperatorList.all_qubits
        • QubitOperatorList.build_subset()
        • QubitOperatorList.clone()
        • QubitOperatorList.collapse_as_linear_combination()
        • QubitOperatorList.collapse_as_product()
        • QubitOperatorList.compatibility_matrix()
        • QubitOperatorList.compress_scalars_as_product()
        • QubitOperatorList.compute_jacobian()
        • QubitOperatorList.copy()
        • QubitOperatorList.df()
        • QubitOperatorList.dot_state_as_linear_combination()
        • QubitOperatorList.dot_state_as_product()
        • QubitOperatorList.empty()
        • QubitOperatorList.equality_matrix()
        • QubitOperatorList.evalf()
        • QubitOperatorList.expand_exponential_product_commuting_operators()
        • QubitOperatorList.free_symbols()
        • QubitOperatorList.free_symbols_ordered()
        • QubitOperatorList.from_Operator()
        • QubitOperatorList.from_list()
        • QubitOperatorList.from_string()
        • QubitOperatorList.incompatibility_matrix()
        • QubitOperatorList.items()
        • QubitOperatorList.make_hashable()
        • QubitOperatorList.map()
        • QubitOperatorList.n_symbols
        • QubitOperatorList.operator_class
        • QubitOperatorList.parallelity_matrix()
        • QubitOperatorList.print_table()
        • QubitOperatorList.qubitwise_compatibility_matrix()
        • QubitOperatorList.qubitwise_incompatibility_matrix()
        • QubitOperatorList.reduce_exponents_by_commutation()
        • QubitOperatorList.retrotterize()
        • QubitOperatorList.reversed_order()
        • QubitOperatorList.simplify()
        • QubitOperatorList.split()
        • QubitOperatorList.split_totally_commuting_set()
        • QubitOperatorList.sublist()
        • QubitOperatorList.subs()
        • QubitOperatorList.symbol_substitution()
        • QubitOperatorList.sympify()
        • QubitOperatorList.to_sparse_matrices()
        • QubitOperatorList.trotterize_as_linear_combination()
        • QubitOperatorList.unsympify()
        • QubitOperatorList.untrotterize()
        • QubitOperatorList.untrotterize_partitioned()
      • QubitOperatorString
        • QubitOperatorString.all_nontrivial_qubits
        • QubitOperatorString.anticommutator()
        • QubitOperatorString.anticommutes_with()
        • QubitOperatorString.commutator()
        • QubitOperatorString.commutes_with()
        • QubitOperatorString.compress()
        • QubitOperatorString.dot_state()
        • QubitOperatorString.from_QubitPauliString()
        • QubitOperatorString.from_list()
        • QubitOperatorString.from_string()
        • QubitOperatorString.from_symplectic_row()
        • QubitOperatorString.from_tuple()
        • QubitOperatorString.map
        • QubitOperatorString.padded()
        • QubitOperatorString.pauli_list
        • QubitOperatorString.qubit_id_list
        • QubitOperatorString.qubit_list
        • QubitOperatorString.qubitwise_anticommutes_with()
        • QubitOperatorString.qubitwise_commutes_with()
        • QubitOperatorString.register_size()
        • QubitOperatorString.state_expectation()
        • QubitOperatorString.to_QubitPauliString()
        • QubitOperatorString.to_circuit()
        • QubitOperatorString.to_dict()
        • QubitOperatorString.to_latex()
        • QubitOperatorString.to_list()
        • QubitOperatorString.to_sparse_matrix()
      • RestrictedOneBodyRDM
        • RestrictedOneBodyRDM.copy()
        • RestrictedOneBodyRDM.get_block()
        • RestrictedOneBodyRDM.get_occupations()
        • RestrictedOneBodyRDM.load_h5()
        • RestrictedOneBodyRDM.mean_field_rdm2()
        • RestrictedOneBodyRDM.n_orb()
        • RestrictedOneBodyRDM.n_spin_orb()
        • RestrictedOneBodyRDM.rotate()
        • RestrictedOneBodyRDM.save_h5()
        • RestrictedOneBodyRDM.set_block()
        • RestrictedOneBodyRDM.trace()
      • RestrictedTwoBodyRDM
        • RestrictedTwoBodyRDM.copy()
        • RestrictedTwoBodyRDM.load_h5()
        • RestrictedTwoBodyRDM.n_orb()
        • RestrictedTwoBodyRDM.n_spin_orb()
        • RestrictedTwoBodyRDM.rotate()
        • RestrictedTwoBodyRDM.save_h5()
      • SymmetryOperatorFermionic
        • SymmetryOperatorFermionic.TrotterizeCoefficientsLocation
        • SymmetryOperatorFermionic.apply_bra()
        • SymmetryOperatorFermionic.apply_ket()
        • SymmetryOperatorFermionic.approx_equal_to()
        • SymmetryOperatorFermionic.approx_equal_to_by_random_subs()
        • SymmetryOperatorFermionic.as_scalar()
        • SymmetryOperatorFermionic.ca()
        • SymmetryOperatorFermionic.caca()
        • SymmetryOperatorFermionic.ccaa()
        • SymmetryOperatorFermionic.clone()
        • SymmetryOperatorFermionic.coefficients
        • SymmetryOperatorFermionic.commutator()
        • SymmetryOperatorFermionic.commutes_with()
        • SymmetryOperatorFermionic.compress()
        • SymmetryOperatorFermionic.constant()
        • SymmetryOperatorFermionic.copy()
        • SymmetryOperatorFermionic.dagger()
        • SymmetryOperatorFermionic.df()
        • SymmetryOperatorFermionic.empty()
        • SymmetryOperatorFermionic.evalf()
        • SymmetryOperatorFermionic.free_symbols()
        • SymmetryOperatorFermionic.free_symbols_ordered()
        • SymmetryOperatorFermionic.freeze()
        • SymmetryOperatorFermionic.from_list()
        • SymmetryOperatorFermionic.from_string()
        • SymmetryOperatorFermionic.from_tuple()
        • SymmetryOperatorFermionic.identity()
        • SymmetryOperatorFermionic.infer_num_spin_orbs()
        • SymmetryOperatorFermionic.is_all_coeff_complex()
        • SymmetryOperatorFermionic.is_all_coeff_imag()
        • SymmetryOperatorFermionic.is_all_coeff_real()
        • SymmetryOperatorFermionic.is_all_coeff_symbolic()
        • SymmetryOperatorFermionic.is_antihermitian()
        • SymmetryOperatorFermionic.is_any_coeff_complex()
        • SymmetryOperatorFermionic.is_any_coeff_imag()
        • SymmetryOperatorFermionic.is_any_coeff_real()
        • SymmetryOperatorFermionic.is_any_coeff_symbolic()
        • SymmetryOperatorFermionic.is_commuting_operator()
        • SymmetryOperatorFermionic.is_hermitian()
        • SymmetryOperatorFermionic.is_normal_ordered()
        • SymmetryOperatorFermionic.is_normalized()
        • SymmetryOperatorFermionic.is_parallel_with()
        • SymmetryOperatorFermionic.is_self_inverse()
        • SymmetryOperatorFermionic.is_symmetry_of()
        • SymmetryOperatorFermionic.is_two_body_number_conserving()
        • SymmetryOperatorFermionic.is_unit_1norm()
        • SymmetryOperatorFermionic.is_unit_2norm()
        • SymmetryOperatorFermionic.is_unit_norm()
        • SymmetryOperatorFermionic.is_unitary()
        • SymmetryOperatorFermionic.items()
        • SymmetryOperatorFermionic.key_from_str()
        • SymmetryOperatorFermionic.list_class
        • SymmetryOperatorFermionic.make_hashable()
        • SymmetryOperatorFermionic.map()
        • SymmetryOperatorFermionic.n_symbols
        • SymmetryOperatorFermionic.norm_coefficients()
        • SymmetryOperatorFermionic.normal_ordered()
        • SymmetryOperatorFermionic.normalized()
        • SymmetryOperatorFermionic.num_spin_orbs
        • SymmetryOperatorFermionic.permuted_operator()
        • SymmetryOperatorFermionic.print_table()
        • SymmetryOperatorFermionic.qubit_encode()
        • SymmetryOperatorFermionic.remove_global_phase()
        • SymmetryOperatorFermionic.reversed_order()
        • SymmetryOperatorFermionic.set_global_phase()
        • SymmetryOperatorFermionic.simplify()
        • SymmetryOperatorFermionic.split()
        • SymmetryOperatorFermionic.subs()
        • SymmetryOperatorFermionic.symbol_substitution()
        • SymmetryOperatorFermionic.symmetry_sector()
        • SymmetryOperatorFermionic.sympify()
        • SymmetryOperatorFermionic.terms
        • SymmetryOperatorFermionic.to_ChemistryRestrictedIntegralOperator()
        • SymmetryOperatorFermionic.to_ChemistryUnrestrictedIntegralOperator()
        • SymmetryOperatorFermionic.to_latex()
        • SymmetryOperatorFermionic.trotterize()
        • SymmetryOperatorFermionic.truncated()
        • SymmetryOperatorFermionic.unsympify()
        • SymmetryOperatorFermionic.zero()
      • SymmetryOperatorFermionicFactorised
        • SymmetryOperatorFermionicFactorised.CompressScalarsBehavior
        • SymmetryOperatorFermionicFactorised.FactoryCoefficientsLocation
        • SymmetryOperatorFermionicFactorised.clone()
        • SymmetryOperatorFermionicFactorised.collapse_as_linear_combination()
        • SymmetryOperatorFermionicFactorised.collapse_as_product()
        • SymmetryOperatorFermionicFactorised.compress_scalars_as_product()
        • SymmetryOperatorFermionicFactorised.copy()
        • SymmetryOperatorFermionicFactorised.df()
        • SymmetryOperatorFermionicFactorised.empty()
        • SymmetryOperatorFermionicFactorised.evalf()
        • SymmetryOperatorFermionicFactorised.free_symbols()
        • SymmetryOperatorFermionicFactorised.free_symbols_ordered()
        • SymmetryOperatorFermionicFactorised.from_Operator()
        • SymmetryOperatorFermionicFactorised.from_string()
        • SymmetryOperatorFermionicFactorised.infer_num_spin_orbs()
        • SymmetryOperatorFermionicFactorised.is_empty()
        • SymmetryOperatorFermionicFactorised.is_symmetry_of()
        • SymmetryOperatorFermionicFactorised.items()
        • SymmetryOperatorFermionicFactorised.make_hashable()
        • SymmetryOperatorFermionicFactorised.map()
        • SymmetryOperatorFermionicFactorised.n_symbols
        • SymmetryOperatorFermionicFactorised.num_spin_orbs
        • SymmetryOperatorFermionicFactorised.operator_class
        • SymmetryOperatorFermionicFactorised.print_table()
        • SymmetryOperatorFermionicFactorised.qubit_encode()
        • SymmetryOperatorFermionicFactorised.retrotterize()
        • SymmetryOperatorFermionicFactorised.reversed_order()
        • SymmetryOperatorFermionicFactorised.simplify()
        • SymmetryOperatorFermionicFactorised.split()
        • SymmetryOperatorFermionicFactorised.sublist()
        • SymmetryOperatorFermionicFactorised.subs()
        • SymmetryOperatorFermionicFactorised.symbol_substitution()
        • SymmetryOperatorFermionicFactorised.symmetry_sector()
        • SymmetryOperatorFermionicFactorised.sympify()
        • SymmetryOperatorFermionicFactorised.to_symmetry_operator_fermionic()
        • SymmetryOperatorFermionicFactorised.trotterize_as_linear_combination()
        • SymmetryOperatorFermionicFactorised.unsympify()
        • SymmetryOperatorFermionicFactorised.untrotterize()
        • SymmetryOperatorFermionicFactorised.untrotterize_partitioned()
      • SymmetryOperatorPauli
        • SymmetryOperatorPauli.TrotterizeCoefficientsLocation
        • SymmetryOperatorPauli.all_nontrivial_qubits
        • SymmetryOperatorPauli.all_qubits
        • SymmetryOperatorPauli.anticommutator()
        • SymmetryOperatorPauli.anticommutes_with()
        • SymmetryOperatorPauli.antihermitian_part()
        • SymmetryOperatorPauli.approx_equal_to()
        • SymmetryOperatorPauli.approx_equal_to_by_random_subs()
        • SymmetryOperatorPauli.as_scalar()
        • SymmetryOperatorPauli.clone()
        • SymmetryOperatorPauli.coefficients
        • SymmetryOperatorPauli.commutator()
        • SymmetryOperatorPauli.commutes_with()
        • SymmetryOperatorPauli.compress()
        • SymmetryOperatorPauli.copy()
        • SymmetryOperatorPauli.dagger()
        • SymmetryOperatorPauli.df()
        • SymmetryOperatorPauli.dot_state()
        • SymmetryOperatorPauli.eigenspectrum()
        • SymmetryOperatorPauli.empty()
        • SymmetryOperatorPauli.ensure_hermitian()
        • SymmetryOperatorPauli.evalf()
        • SymmetryOperatorPauli.exponentiate_commuting_operator()
        • SymmetryOperatorPauli.exponentiate_single_term()
        • SymmetryOperatorPauli.free_symbols()
        • SymmetryOperatorPauli.free_symbols_ordered()
        • SymmetryOperatorPauli.from_QubitPauliOperator()
        • SymmetryOperatorPauli.from_list()
        • SymmetryOperatorPauli.from_string()
        • SymmetryOperatorPauli.get()
        • SymmetryOperatorPauli.hermitian_factorisation()
        • SymmetryOperatorPauli.hermitian_part()
        • SymmetryOperatorPauli.identity()
        • SymmetryOperatorPauli.is_all_coeff_complex()
        • SymmetryOperatorPauli.is_all_coeff_imag()
        • SymmetryOperatorPauli.is_all_coeff_real()
        • SymmetryOperatorPauli.is_all_coeff_symbolic()
        • SymmetryOperatorPauli.is_antihermitian()
        • SymmetryOperatorPauli.is_any_coeff_complex()
        • SymmetryOperatorPauli.is_any_coeff_imag()
        • SymmetryOperatorPauli.is_any_coeff_real()
        • SymmetryOperatorPauli.is_any_coeff_symbolic()
        • SymmetryOperatorPauli.is_commuting_operator()
        • SymmetryOperatorPauli.is_hermitian()
        • SymmetryOperatorPauli.is_hermitian_coeff()
        • SymmetryOperatorPauli.is_normalized()
        • SymmetryOperatorPauli.is_parallel_with()
        • SymmetryOperatorPauli.is_self_inverse()
        • SymmetryOperatorPauli.is_symmetry_of()
        • SymmetryOperatorPauli.is_unit_1norm()
        • SymmetryOperatorPauli.is_unit_2norm()
        • SymmetryOperatorPauli.is_unit_norm()
        • SymmetryOperatorPauli.is_unitary()
        • SymmetryOperatorPauli.items()
        • SymmetryOperatorPauli.key_from_str()
        • SymmetryOperatorPauli.list_class
        • SymmetryOperatorPauli.make_hashable()
        • SymmetryOperatorPauli.map()
        • SymmetryOperatorPauli.n_symbols
        • SymmetryOperatorPauli.norm_coefficients()
        • SymmetryOperatorPauli.normalized()
        • SymmetryOperatorPauli.pad()
        • SymmetryOperatorPauli.padded()
        • SymmetryOperatorPauli.pauli_strings
        • SymmetryOperatorPauli.print_table()
        • SymmetryOperatorPauli.qubitwise_anticommutes_with()
        • SymmetryOperatorPauli.qubitwise_commutes_with()
        • SymmetryOperatorPauli.remove_global_phase()
        • SymmetryOperatorPauli.reversed_order()
        • SymmetryOperatorPauli.set_global_phase()
        • SymmetryOperatorPauli.simplify()
        • SymmetryOperatorPauli.split()
        • SymmetryOperatorPauli.state_expectation()
        • SymmetryOperatorPauli.subs()
        • SymmetryOperatorPauli.symbol_substitution()
        • SymmetryOperatorPauli.symmetry_sector()
        • SymmetryOperatorPauli.sympify()
        • SymmetryOperatorPauli.symplectic_representation()
        • SymmetryOperatorPauli.terms
        • SymmetryOperatorPauli.to_QubitPauliOperator()
        • SymmetryOperatorPauli.to_latex()
        • SymmetryOperatorPauli.to_list()
        • SymmetryOperatorPauli.to_sparse_matrix()
        • SymmetryOperatorPauli.toeplitz_decomposition()
        • SymmetryOperatorPauli.totally_commuting_decomposition()
        • SymmetryOperatorPauli.trotterize()
        • SymmetryOperatorPauli.unsympify()
        • SymmetryOperatorPauli.zero()
      • SymmetryOperatorPauliFactorised
        • SymmetryOperatorPauliFactorised.CompressScalarsBehavior
        • SymmetryOperatorPauliFactorised.ExpandExponentialProductCoefficientsBehavior
        • SymmetryOperatorPauliFactorised.FactoryCoefficientsLocation
        • SymmetryOperatorPauliFactorised.all_nontrivial_qubits
        • SymmetryOperatorPauliFactorised.all_qubits
        • SymmetryOperatorPauliFactorised.build_subset()
        • SymmetryOperatorPauliFactorised.clone()
        • SymmetryOperatorPauliFactorised.collapse_as_linear_combination()
        • SymmetryOperatorPauliFactorised.collapse_as_product()
        • SymmetryOperatorPauliFactorised.compatibility_matrix()
        • SymmetryOperatorPauliFactorised.compress_scalars_as_product()
        • SymmetryOperatorPauliFactorised.compute_jacobian()
        • SymmetryOperatorPauliFactorised.copy()
        • SymmetryOperatorPauliFactorised.df()
        • SymmetryOperatorPauliFactorised.dot_state_as_linear_combination()
        • SymmetryOperatorPauliFactorised.dot_state_as_product()
        • SymmetryOperatorPauliFactorised.empty()
        • SymmetryOperatorPauliFactorised.equality_matrix()
        • SymmetryOperatorPauliFactorised.evalf()
        • SymmetryOperatorPauliFactorised.expand_exponential_product_commuting_operators()
        • SymmetryOperatorPauliFactorised.free_symbols()
        • SymmetryOperatorPauliFactorised.free_symbols_ordered()
        • SymmetryOperatorPauliFactorised.from_Operator()
        • SymmetryOperatorPauliFactorised.from_list()
        • SymmetryOperatorPauliFactorised.from_string()
        • SymmetryOperatorPauliFactorised.incompatibility_matrix()
        • SymmetryOperatorPauliFactorised.is_empty()
        • SymmetryOperatorPauliFactorised.is_symmetry_of()
        • SymmetryOperatorPauliFactorised.items()
        • SymmetryOperatorPauliFactorised.make_hashable()
        • SymmetryOperatorPauliFactorised.map()
        • SymmetryOperatorPauliFactorised.n_symbols
        • SymmetryOperatorPauliFactorised.operator_class
        • SymmetryOperatorPauliFactorised.parallelity_matrix()
        • SymmetryOperatorPauliFactorised.print_table()
        • SymmetryOperatorPauliFactorised.qubitwise_compatibility_matrix()
        • SymmetryOperatorPauliFactorised.qubitwise_incompatibility_matrix()
        • SymmetryOperatorPauliFactorised.reduce_exponents_by_commutation()
        • SymmetryOperatorPauliFactorised.retrotterize()
        • SymmetryOperatorPauliFactorised.reversed_order()
        • SymmetryOperatorPauliFactorised.simplify()
        • SymmetryOperatorPauliFactorised.split()
        • SymmetryOperatorPauliFactorised.split_totally_commuting_set()
        • SymmetryOperatorPauliFactorised.sublist()
        • SymmetryOperatorPauliFactorised.subs()
        • SymmetryOperatorPauliFactorised.symbol_substitution()
        • SymmetryOperatorPauliFactorised.symmetry_sector()
        • SymmetryOperatorPauliFactorised.sympify()
        • SymmetryOperatorPauliFactorised.to_sparse_matrices()
        • SymmetryOperatorPauliFactorised.to_symmetry_operator_pauli()
        • SymmetryOperatorPauliFactorised.trotterize_as_linear_combination()
        • SymmetryOperatorPauliFactorised.unsympify()
        • SymmetryOperatorPauliFactorised.untrotterize()
        • SymmetryOperatorPauliFactorised.untrotterize_partitioned()
      • UnrestrictedOneBodyRDM
        • UnrestrictedOneBodyRDM.copy()
        • UnrestrictedOneBodyRDM.get_block()
        • UnrestrictedOneBodyRDM.load_h5()
        • UnrestrictedOneBodyRDM.mean_field_rdm2()
        • UnrestrictedOneBodyRDM.n_orb()
        • UnrestrictedOneBodyRDM.n_spin_orb()
        • UnrestrictedOneBodyRDM.rotate()
        • UnrestrictedOneBodyRDM.save_h5()
        • UnrestrictedOneBodyRDM.set_block()
        • UnrestrictedOneBodyRDM.trace()
      • UnrestrictedTwoBodyRDM
        • UnrestrictedTwoBodyRDM.copy()
        • UnrestrictedTwoBodyRDM.load_h5()
        • UnrestrictedTwoBodyRDM.n_orb()
        • UnrestrictedTwoBodyRDM.n_spin_orb()
        • UnrestrictedTwoBodyRDM.rotate()
        • UnrestrictedTwoBodyRDM.save_h5()
    • inquanto.protocols
      • Protocols for Expectation Values
        • PauliAveraging
        • HadamardTest
      • Protocols for Overlap Squared
        • ComputeUncompute
        • DestructiveSwapTest
        • SwapTest
      • Protocols for Overlaps
        • HadamardTestOverlap
        • FactorizedOverlap
        • SwapFactorizedOverlap
        • ComputeUncomputeFactorizedOverlap
      • Statevector-Based Protocols
        • SparseStatevectorProtocol
        • BackendStatevectorProtocol
        • SymbolicProtocol
      • Protocols for Derivatives
        • HadamardTestDerivativeOverlap
        • HadamardTestDerivative
        • PhaseShift
      • Protocols for Phase-Estimation
        • CanonicalPhaseEstimation
        • IterativePhaseEstimationSingleCircuit
        • MeasurementPluralityPhaseEstimator
        • LinearInterpolatorPhaseEstimator
        • IterativePhaseEstimation
        • IterativePhaseEstimationQuantinuum
        • IterativePhaseEstimationStatevector
      • Other protocols
        • ProjectiveMeasurements
        • ProtocolList
      • Error mitigation
        • PMSV
        • SPAM
        • CombinedMitigation
      • Utility classes
        • ProtocolCache
        • PlainOptions
        • IcebergOptions
        • CircuitEncoderQuantinuum
        • CompilationLevel
        • CtrluStrat
    • inquanto.spaces
      • FermionSpace
        • FermionSpace.COLUMN_ORB
        • FermionSpace.COLUMN_SPIN
        • FermionSpace.SPIN_ALPHA
        • FermionSpace.SPIN_BETA
        • FermionSpace.SPIN_DOWN
        • FermionSpace.SPIN_UP
        • FermionSpace.construct_contraction_mask_from_operators()
        • FermionSpace.construct_double_excitation_operators()
        • FermionSpace.construct_double_ucc_operators()
        • FermionSpace.construct_generalised_double_excitation_operators()
        • FermionSpace.construct_generalised_double_ucc_operators()
        • FermionSpace.construct_generalised_pair_double_excitation_operators()
        • FermionSpace.construct_generalised_pair_double_ucc_operators()
        • FermionSpace.construct_generalised_single_excitation_operators()
        • FermionSpace.construct_generalised_single_ucc_operators()
        • FermionSpace.construct_n_body_spinless_pdm_operators()
        • FermionSpace.construct_n_body_spinless_rdm_operators()
        • FermionSpace.construct_number_alpha_operator()
        • FermionSpace.construct_number_beta_operator()
        • FermionSpace.construct_number_operator()
        • FermionSpace.construct_one_body_operator_from_integral()
        • FermionSpace.construct_one_body_spatial_rdm_operators()
        • FermionSpace.construct_operator_from_string()
        • FermionSpace.construct_orbital_number_operators()
        • FermionSpace.construct_scalar_operator()
        • FermionSpace.construct_single_excitation_operators()
        • FermionSpace.construct_single_ucc_operators()
        • FermionSpace.construct_singlet_double_excitation_operators()
        • FermionSpace.construct_singlet_double_ucc_operators()
        • FermionSpace.construct_singlet_generalised_double_excitation_operators()
        • FermionSpace.construct_singlet_generalised_single_excitation_operators()
        • FermionSpace.construct_singlet_generalised_single_ucc_operators()
        • FermionSpace.construct_singlet_single_excitation_operators()
        • FermionSpace.construct_singlet_single_ucc_operators()
        • FermionSpace.construct_spin_operator()
        • FermionSpace.construct_sz_operator()
        • FermionSpace.construct_triplet_generalised_single_excitation_operators()
        • FermionSpace.construct_triplet_generalised_single_ucc_operators()
        • FermionSpace.construct_two_body_operator_from_integral()
        • FermionSpace.construct_two_body_operator_from_tensor()
        • FermionSpace.construct_two_body_spatial_rdm_operators()
        • FermionSpace.contract_occupation_space()
        • FermionSpace.contract_occupation_state()
        • FermionSpace.contract_operator()
        • FermionSpace.contract_state_mask()
        • FermionSpace.contracted_system()
        • FermionSpace.convert_mask_to_index_map()
        • FermionSpace.count()
        • FermionSpace.from_state()
        • FermionSpace.generate_cyclic_masks()
        • FermionSpace.generate_cyclic_window_mask()
        • FermionSpace.generate_occupation_state()
        • FermionSpace.generate_occupation_state_from_list()
        • FermionSpace.generate_occupation_state_from_spatial_occupation()
        • FermionSpace.generate_subspace_singles()
        • FermionSpace.generate_subspace_singlet_singles()
        • FermionSpace.generate_subspace_triplet_singles()
        • FermionSpace.get_orb_irreps_dataframe()
        • FermionSpace.index()
        • FermionSpace.load_h5()
        • FermionSpace.n_orb
        • FermionSpace.n_spin_orb
        • FermionSpace.operator_to_latex()
        • FermionSpace.orb_irreps()
        • FermionSpace.point_group()
        • FermionSpace.print_state()
        • FermionSpace.quantum_label()
        • FermionSpace.quantum_number()
        • FermionSpace.quantum_number_orb()
        • FermionSpace.quantum_number_spin()
        • FermionSpace.save_h5()
        • FermionSpace.select()
        • FermionSpace.symmetry_operators_z2()
        • FermionSpace.symmetry_operators_z2_in_sector()
      • FermionSpaceBrillouin
        • FermionSpaceBrillouin.COLUMN_KP
        • FermionSpaceBrillouin.COLUMN_ORB
        • FermionSpaceBrillouin.COLUMN_SPIN
        • FermionSpaceBrillouin.SPIN_ALPHA
        • FermionSpaceBrillouin.SPIN_BETA
        • FermionSpaceBrillouin.SPIN_DOWN
        • FermionSpaceBrillouin.SPIN_UP
        • FermionSpaceBrillouin.construct_contraction_mask_from_operators()
        • FermionSpaceBrillouin.construct_number_operator()
        • FermionSpaceBrillouin.construct_one_body_operator_from_integral()
        • FermionSpaceBrillouin.construct_scalar_operator()
        • FermionSpaceBrillouin.construct_two_body_operator_from_integral()
        • FermionSpaceBrillouin.contract_occupation_space()
        • FermionSpaceBrillouin.contract_occupation_state()
        • FermionSpaceBrillouin.contract_operator()
        • FermionSpaceBrillouin.contract_state_mask()
        • FermionSpaceBrillouin.convert_mask_to_index_map()
        • FermionSpaceBrillouin.count()
        • FermionSpaceBrillouin.generate_occupation_state()
        • FermionSpaceBrillouin.generate_occupation_state_from_list()
        • FermionSpaceBrillouin.generate_occupation_state_from_spatial_occupation()
        • FermionSpaceBrillouin.index()
        • FermionSpaceBrillouin.load_h5()
        • FermionSpaceBrillouin.n_kp
        • FermionSpaceBrillouin.n_spin_orb
        • FermionSpaceBrillouin.operator_to_latex()
        • FermionSpaceBrillouin.print_state()
        • FermionSpaceBrillouin.quantum_label()
        • FermionSpaceBrillouin.quantum_number()
        • FermionSpaceBrillouin.quantum_number_kp()
        • FermionSpaceBrillouin.quantum_number_orb()
        • FermionSpaceBrillouin.quantum_number_spin()
        • FermionSpaceBrillouin.save_h5()
        • FermionSpaceBrillouin.select()
      • FermionSpaceSupercell
        • FermionSpaceSupercell.COLUMN_ORB
        • FermionSpaceSupercell.COLUMN_RP
        • FermionSpaceSupercell.COLUMN_SPIN
        • FermionSpaceSupercell.SPIN_ALPHA
        • FermionSpaceSupercell.SPIN_BETA
        • FermionSpaceSupercell.SPIN_DOWN
        • FermionSpaceSupercell.SPIN_UP
        • FermionSpaceSupercell.check_translation_invariance()
        • FermionSpaceSupercell.construct_contraction_mask_from_operators()
        • FermionSpaceSupercell.construct_number_operator()
        • FermionSpaceSupercell.construct_one_body_operator_from_big_integral()
        • FermionSpaceSupercell.construct_permutation_operator()
        • FermionSpaceSupercell.construct_reverse_rp_permutation_operator()
        • FermionSpaceSupercell.construct_scalar_operator()
        • FermionSpaceSupercell.construct_shift_rp_permutation_operator()
        • FermionSpaceSupercell.construct_swap_rp_permutation_operator()
        • FermionSpaceSupercell.construct_two_body_operator_from_big_integral()
        • FermionSpaceSupercell.contract_occupation_state()
        • FermionSpaceSupercell.contract_operator()
        • FermionSpaceSupercell.contract_state_mask()
        • FermionSpaceSupercell.convert_mask_to_index_map()
        • FermionSpaceSupercell.count()
        • FermionSpaceSupercell.generate_cyclic_masks()
        • FermionSpaceSupercell.generate_cyclic_window_mask()
        • FermionSpaceSupercell.generate_fock_state_from_list()
        • FermionSpaceSupercell.generate_fock_state_from_spatial_big_occupation()
        • FermionSpaceSupercell.generate_fock_state_from_spatial_occupation()
        • FermionSpaceSupercell.generate_occupation_state()
        • FermionSpaceSupercell.index()
        • FermionSpaceSupercell.is_operator_permutation_invariant()
        • FermionSpaceSupercell.load_h5()
        • FermionSpaceSupercell.n_rp
        • FermionSpaceSupercell.n_spin_orb
        • FermionSpaceSupercell.operator_to_latex()
        • FermionSpaceSupercell.permutation()
        • FermionSpaceSupercell.permutation_matrix()
        • FermionSpaceSupercell.print_state()
        • FermionSpaceSupercell.quantum_label()
        • FermionSpaceSupercell.quantum_number()
        • FermionSpaceSupercell.quantum_number_orb()
        • FermionSpaceSupercell.quantum_number_rp()
        • FermionSpaceSupercell.quantum_number_spin()
        • FermionSpaceSupercell.reverse_rp_permutation()
        • FermionSpaceSupercell.save_h5()
        • FermionSpaceSupercell.select()
        • FermionSpaceSupercell.shift_rp_permutation()
        • FermionSpaceSupercell.swap_rp_permutation()
        • FermionSpaceSupercell.translate_operator()
      • ParaFermionSpace
        • ParaFermionSpace.construct_double_qubit_excitation_operators()
        • ParaFermionSpace.construct_imag_pauli_exponent_operators()
        • ParaFermionSpace.construct_operator_from_string()
        • ParaFermionSpace.construct_real_pauli_exponent_operators()
        • ParaFermionSpace.construct_scalar_operator()
        • ParaFermionSpace.construct_single_qubit_excitation_operators()
        • ParaFermionSpace.count_spin()
        • ParaFermionSpace.index()
        • ParaFermionSpace.load_h5()
        • ParaFermionSpace.n_ones()
        • ParaFermionSpace.n_orb
        • ParaFermionSpace.n_spin_orb
        • ParaFermionSpace.paulis
        • ParaFermionSpace.quantum_label()
        • ParaFermionSpace.quantum_number()
        • ParaFermionSpace.quantum_number_orb()
        • ParaFermionSpace.quantum_number_spin()
        • ParaFermionSpace.save_h5()
        • ParaFermionSpace.symmetry_operators_z2()
        • ParaFermionSpace.symmetry_operators_z2_in_sector()
      • QubitSpace
        • QubitSpace.construct_imag_pauli_exponent_operators()
        • QubitSpace.construct_operator_from_string()
        • QubitSpace.construct_real_pauli_exponent_operators()
        • QubitSpace.load_h5()
        • QubitSpace.paulis
        • QubitSpace.save_h5()
        • QubitSpace.symmetry_operators_z2()
        • QubitSpace.symmetry_operators_z2_in_sector()
      • chain_filters()
    • inquanto.states
      • FermionState
        • FermionState.approx_equal_to()
        • FermionState.approx_equal_to_by_random_subs()
        • FermionState.basis_states
        • FermionState.clone()
        • FermionState.coefficients
        • FermionState.compress()
        • FermionState.copy()
        • FermionState.df()
        • FermionState.empty()
        • FermionState.evalf()
        • FermionState.free_symbols()
        • FermionState.free_symbols_ordered()
        • FermionState.from_ndarray()
        • FermionState.from_sparray()
        • FermionState.from_string()
        • FermionState.get_numeric_representation()
        • FermionState.get_symbolic_representation()
        • FermionState.is_all_coeff_complex()
        • FermionState.is_all_coeff_imag()
        • FermionState.is_all_coeff_real()
        • FermionState.is_all_coeff_symbolic()
        • FermionState.is_any_coeff_complex()
        • FermionState.is_any_coeff_imag()
        • FermionState.is_any_coeff_real()
        • FermionState.is_any_coeff_symbolic()
        • FermionState.is_basis_state()
        • FermionState.is_normalized()
        • FermionState.is_parallel_with()
        • FermionState.is_unit_1norm()
        • FermionState.is_unit_2norm()
        • FermionState.is_unit_norm()
        • FermionState.items()
        • FermionState.key_from_str()
        • FermionState.load_h5()
        • FermionState.make_hashable()
        • FermionState.map()
        • FermionState.n_symbols
        • FermionState.norm_coefficients()
        • FermionState.normalized()
        • FermionState.num_modes
        • FermionState.print_table()
        • FermionState.qubit_encode()
        • FermionState.remove_global_phase()
        • FermionState.reversed_order()
        • FermionState.save_h5()
        • FermionState.set_global_phase()
        • FermionState.simplify()
        • FermionState.single_term
        • FermionState.split()
        • FermionState.string_class
        • FermionState.subs()
        • FermionState.symbol_substitution()
        • FermionState.sympify()
        • FermionState.terms
        • FermionState.to_ndarray()
        • FermionState.to_sparray()
        • FermionState.unsympify()
        • FermionState.vdot()
        • FermionState.zero()
      • FermionStateString
        • FermionStateString.all_modes
        • FermionStateString.from_index()
        • FermionStateString.from_list_int()
        • FermionStateString.from_string()
        • FermionStateString.hamming_weight
        • FermionStateString.load_h5()
        • FermionStateString.mode_class
        • FermionStateString.num_modes
        • FermionStateString.occupations_ordered()
        • FermionStateString.qubit_encode()
        • FermionStateString.save_h5()
        • FermionStateString.to_index()
      • QubitState
        • QubitState.approx_equal_to()
        • QubitState.approx_equal_to_by_random_subs()
        • QubitState.basis_states
        • QubitState.clone()
        • QubitState.coefficients
        • QubitState.compress()
        • QubitState.copy()
        • QubitState.df()
        • QubitState.empty()
        • QubitState.evalf()
        • QubitState.free_symbols()
        • QubitState.free_symbols_ordered()
        • QubitState.from_ndarray()
        • QubitState.from_sparray()
        • QubitState.from_string()
        • QubitState.get_numeric_representation()
        • QubitState.get_symbolic_representation()
        • QubitState.is_all_coeff_complex()
        • QubitState.is_all_coeff_imag()
        • QubitState.is_all_coeff_real()
        • QubitState.is_all_coeff_symbolic()
        • QubitState.is_any_coeff_complex()
        • QubitState.is_any_coeff_imag()
        • QubitState.is_any_coeff_real()
        • QubitState.is_any_coeff_symbolic()
        • QubitState.is_basis_state()
        • QubitState.is_normalized()
        • QubitState.is_parallel_with()
        • QubitState.is_unit_1norm()
        • QubitState.is_unit_2norm()
        • QubitState.is_unit_norm()
        • QubitState.items()
        • QubitState.key_from_str()
        • QubitState.load_h5()
        • QubitState.make_hashable()
        • QubitState.map()
        • QubitState.n_qubits
        • QubitState.n_symbols
        • QubitState.norm_coefficients()
        • QubitState.normalized()
        • QubitState.num_modes
        • QubitState.num_qubits
        • QubitState.print_table()
        • QubitState.remove_global_phase()
        • QubitState.reversed_order()
        • QubitState.save_h5()
        • QubitState.set_global_phase()
        • QubitState.simplify()
        • QubitState.single_term
        • QubitState.split()
        • QubitState.state_symbols
        • QubitState.string_class
        • QubitState.subs()
        • QubitState.symbol_substitution()
        • QubitState.sympify()
        • QubitState.terms
        • QubitState.to_ndarray()
        • QubitState.to_sparray()
        • QubitState.unsympify()
        • QubitState.vdot()
        • QubitState.zero()
      • QubitStateString
        • QubitStateString.all_modes
        • QubitStateString.from_index()
        • QubitStateString.from_list_int()
        • QubitStateString.from_string()
        • QubitStateString.hamming_weight
        • QubitStateString.load_h5()
        • QubitStateString.mode_class
        • QubitStateString.num_modes
        • QubitStateString.occupations_ordered()
        • QubitStateString.save_h5()
        • QubitStateString.to_index()
      • State
        • State.approx_equal_to()
        • State.approx_equal_to_by_random_subs()
        • State.basis_states
        • State.clone()
        • State.coefficients
        • State.compress()
        • State.copy()
        • State.df()
        • State.empty()
        • State.evalf()
        • State.free_symbols()
        • State.free_symbols_ordered()
        • State.from_ndarray()
        • State.from_sparray()
        • State.from_string()
        • State.get_numeric_representation()
        • State.get_symbolic_representation()
        • State.is_all_coeff_complex()
        • State.is_all_coeff_imag()
        • State.is_all_coeff_real()
        • State.is_all_coeff_symbolic()
        • State.is_any_coeff_complex()
        • State.is_any_coeff_imag()
        • State.is_any_coeff_real()
        • State.is_any_coeff_symbolic()
        • State.is_basis_state()
        • State.is_normalized()
        • State.is_parallel_with()
        • State.is_unit_1norm()
        • State.is_unit_2norm()
        • State.is_unit_norm()
        • State.items()
        • State.key_from_str()
        • State.load_h5()
        • State.make_hashable()
        • State.map()
        • State.n_symbols
        • State.norm_coefficients()
        • State.normalized()
        • State.num_modes
        • State.print_table()
        • State.remove_global_phase()
        • State.reversed_order()
        • State.save_h5()
        • State.set_global_phase()
        • State.simplify()
        • State.single_term
        • State.split()
        • State.string_class
        • State.subs()
        • State.symbol_substitution()
        • State.sympify()
        • State.terms
        • State.to_ndarray()
        • State.to_sparray()
        • State.unsympify()
        • State.vdot()
        • State.zero()
      • StateString
        • StateString.all_modes
        • StateString.from_index()
        • StateString.from_list_int()
        • StateString.from_string()
        • StateString.hamming_weight
        • StateString.load_h5()
        • StateString.mode_class
        • StateString.num_modes
        • StateString.occupations_ordered()
        • StateString.save_h5()
        • StateString.to_index()
    • inquanto.symmetry
      • PointGroup
        • PointGroup.compute_representation_components()
        • PointGroup.get_generators_symbol2irrep_dict()
        • PointGroup.get_irrep2symbol_dict()
        • PointGroup.get_supported_point_group_dict()
        • PointGroup.get_symbol2irrep_dict()
        • PointGroup.irrep_direct_product()
        • PointGroup.mini_character_table()
        • PointGroup.print_character_table()
        • PointGroup.supported_groups()
      • TapererZ2
        • TapererZ2.symmetry_operators
        • TapererZ2.symmetry_sectors
        • TapererZ2.taperable_qubits
        • TapererZ2.XOperatorMinimalError
        • TapererZ2.find_x_operators()
        • TapererZ2.tapered_operator()
        • TapererZ2.tapered_state()
        • TapererZ2.tapering_unitary()
  • InQuanto-Extensions
    • InQuanto-PySCF
      • AVAS
        • AVAS.compute_unitary()
        • AVAS.dump_flags()
        • AVAS.frozenf()
        • AVAS.is_transf
        • AVAS.original
        • AVAS.run()
        • AVAS.transf()
      • CASSCF
        • CASSCF.compute_unitary()
        • CASSCF.is_transf
        • CASSCF.original
        • CASSCF.transf()
      • ChemistryDriverPySCFEmbeddingGammaRHF
        • ChemistryDriverPySCFEmbeddingGammaRHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFEmbeddingGammaRHF.compute_one_electron_operator()
        • ChemistryDriverPySCFEmbeddingGammaRHF.extract_point_group_information()
        • ChemistryDriverPySCFEmbeddingGammaRHF.from_mf()
        • ChemistryDriverPySCFEmbeddingGammaRHF.frozen
        • ChemistryDriverPySCFEmbeddingGammaRHF.generate_report()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_ac0_correction()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_casci_1234pdms()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_casci_12rdms()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_cube_density()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_cube_orbitals()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_double_factorized_system()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_excitation_operators()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_lowdin_system()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_madelung_constant()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_mulliken_pop()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_nevpt2_correction()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_orbital_coefficients()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_subsystem_driver()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_system()
        • ChemistryDriverPySCFEmbeddingGammaRHF.get_system_ao()
        • ChemistryDriverPySCFEmbeddingGammaRHF.make_actives_contiguous()
        • ChemistryDriverPySCFEmbeddingGammaRHF.mf_energy
        • ChemistryDriverPySCFEmbeddingGammaRHF.mf_type
        • ChemistryDriverPySCFEmbeddingGammaRHF.n_electron
        • ChemistryDriverPySCFEmbeddingGammaRHF.n_orb
        • ChemistryDriverPySCFEmbeddingGammaRHF.print_json_report()
        • ChemistryDriverPySCFEmbeddingGammaRHF.run_casci()
        • ChemistryDriverPySCFEmbeddingGammaRHF.run_ccsd()
        • ChemistryDriverPySCFEmbeddingGammaRHF.run_hf()
        • ChemistryDriverPySCFEmbeddingGammaRHF.run_mp2()
        • ChemistryDriverPySCFEmbeddingGammaRHF.set_checkfile()
        • ChemistryDriverPySCFEmbeddingGammaRHF.set_diis_space_dimension()
        • ChemistryDriverPySCFEmbeddingGammaRHF.set_init_orbitals()
        • ChemistryDriverPySCFEmbeddingGammaRHF.set_level_shift()
        • ChemistryDriverPySCFEmbeddingGammaRHF.set_max_scf_cycles()
      • ChemistryDriverPySCFEmbeddingGammaROHF_UHF
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.compute_one_electron_operator()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.extract_point_group_information()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.from_mf()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.frozen
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.generate_report()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_ac0_correction()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_casci_1234pdms()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_casci_12rdms()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_cube_density()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_cube_orbitals()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_double_factorized_system()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_excitation_operators()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_lowdin_system()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_madelung_constant()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_mulliken_pop()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_nevpt2_correction()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_orbital_coefficients()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_subsystem_driver()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_system()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.get_system_ao()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.make_actives_contiguous()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.mf_energy
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.mf_type
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.n_electron
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.n_orb
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.print_json_report()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.run_casci()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.run_ccsd()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.run_hf()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.run_mp2()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.set_checkfile()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.set_diis_space_dimension()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.set_init_orbitals()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.set_level_shift()
        • ChemistryDriverPySCFEmbeddingGammaROHF_UHF.set_max_scf_cycles()
      • ChemistryDriverPySCFEmbeddingRHF
        • ChemistryDriverPySCFEmbeddingRHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFEmbeddingRHF.compute_one_electron_operator()
        • ChemistryDriverPySCFEmbeddingRHF.extract_point_group_information()
        • ChemistryDriverPySCFEmbeddingRHF.from_mf()
        • ChemistryDriverPySCFEmbeddingRHF.frozen
        • ChemistryDriverPySCFEmbeddingRHF.generate_report()
        • ChemistryDriverPySCFEmbeddingRHF.get_ac0_correction()
        • ChemistryDriverPySCFEmbeddingRHF.get_casci_1234pdms()
        • ChemistryDriverPySCFEmbeddingRHF.get_casci_12rdms()
        • ChemistryDriverPySCFEmbeddingRHF.get_cube_density()
        • ChemistryDriverPySCFEmbeddingRHF.get_cube_orbitals()
        • ChemistryDriverPySCFEmbeddingRHF.get_double_factorized_system()
        • ChemistryDriverPySCFEmbeddingRHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFEmbeddingRHF.get_excitation_operators()
        • ChemistryDriverPySCFEmbeddingRHF.get_lowdin_system()
        • ChemistryDriverPySCFEmbeddingRHF.get_mulliken_pop()
        • ChemistryDriverPySCFEmbeddingRHF.get_nevpt2_correction()
        • ChemistryDriverPySCFEmbeddingRHF.get_orbital_coefficients()
        • ChemistryDriverPySCFEmbeddingRHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFEmbeddingRHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFEmbeddingRHF.get_subsystem_driver()
        • ChemistryDriverPySCFEmbeddingRHF.get_system()
        • ChemistryDriverPySCFEmbeddingRHF.get_system_ao()
        • ChemistryDriverPySCFEmbeddingRHF.make_actives_contiguous()
        • ChemistryDriverPySCFEmbeddingRHF.mf_energy
        • ChemistryDriverPySCFEmbeddingRHF.mf_type
        • ChemistryDriverPySCFEmbeddingRHF.n_electron
        • ChemistryDriverPySCFEmbeddingRHF.n_orb
        • ChemistryDriverPySCFEmbeddingRHF.print_json_report()
        • ChemistryDriverPySCFEmbeddingRHF.run_casci()
        • ChemistryDriverPySCFEmbeddingRHF.run_ccsd()
        • ChemistryDriverPySCFEmbeddingRHF.run_hf()
        • ChemistryDriverPySCFEmbeddingRHF.run_mp2()
        • ChemistryDriverPySCFEmbeddingRHF.set_checkfile()
        • ChemistryDriverPySCFEmbeddingRHF.set_diis_space_dimension()
        • ChemistryDriverPySCFEmbeddingRHF.set_init_orbitals()
        • ChemistryDriverPySCFEmbeddingRHF.set_level_shift()
        • ChemistryDriverPySCFEmbeddingRHF.set_max_scf_cycles()
      • ChemistryDriverPySCFEmbeddingROHF
        • ChemistryDriverPySCFEmbeddingROHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFEmbeddingROHF.compute_one_electron_operator()
        • ChemistryDriverPySCFEmbeddingROHF.extract_point_group_information()
        • ChemistryDriverPySCFEmbeddingROHF.from_mf()
        • ChemistryDriverPySCFEmbeddingROHF.frozen
        • ChemistryDriverPySCFEmbeddingROHF.generate_report()
        • ChemistryDriverPySCFEmbeddingROHF.get_ac0_correction()
        • ChemistryDriverPySCFEmbeddingROHF.get_casci_1234pdms()
        • ChemistryDriverPySCFEmbeddingROHF.get_casci_12rdms()
        • ChemistryDriverPySCFEmbeddingROHF.get_cube_density()
        • ChemistryDriverPySCFEmbeddingROHF.get_cube_orbitals()
        • ChemistryDriverPySCFEmbeddingROHF.get_double_factorized_system()
        • ChemistryDriverPySCFEmbeddingROHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFEmbeddingROHF.get_excitation_operators()
        • ChemistryDriverPySCFEmbeddingROHF.get_lowdin_system()
        • ChemistryDriverPySCFEmbeddingROHF.get_mulliken_pop()
        • ChemistryDriverPySCFEmbeddingROHF.get_nevpt2_correction()
        • ChemistryDriverPySCFEmbeddingROHF.get_orbital_coefficients()
        • ChemistryDriverPySCFEmbeddingROHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFEmbeddingROHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFEmbeddingROHF.get_subsystem_driver()
        • ChemistryDriverPySCFEmbeddingROHF.get_system()
        • ChemistryDriverPySCFEmbeddingROHF.get_system_ao()
        • ChemistryDriverPySCFEmbeddingROHF.make_actives_contiguous()
        • ChemistryDriverPySCFEmbeddingROHF.mf_energy
        • ChemistryDriverPySCFEmbeddingROHF.mf_type
        • ChemistryDriverPySCFEmbeddingROHF.n_electron
        • ChemistryDriverPySCFEmbeddingROHF.n_orb
        • ChemistryDriverPySCFEmbeddingROHF.print_json_report()
        • ChemistryDriverPySCFEmbeddingROHF.run_casci()
        • ChemistryDriverPySCFEmbeddingROHF.run_ccsd()
        • ChemistryDriverPySCFEmbeddingROHF.run_hf()
        • ChemistryDriverPySCFEmbeddingROHF.run_mp2()
        • ChemistryDriverPySCFEmbeddingROHF.set_checkfile()
        • ChemistryDriverPySCFEmbeddingROHF.set_diis_space_dimension()
        • ChemistryDriverPySCFEmbeddingROHF.set_init_orbitals()
        • ChemistryDriverPySCFEmbeddingROHF.set_level_shift()
        • ChemistryDriverPySCFEmbeddingROHF.set_max_scf_cycles()
      • ChemistryDriverPySCFEmbeddingROHF_UHF
        • ChemistryDriverPySCFEmbeddingROHF_UHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.compute_one_electron_operator()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.extract_point_group_information()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.from_mf()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.frozen
        • ChemistryDriverPySCFEmbeddingROHF_UHF.generate_report()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_ac0_correction()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_casci_1234pdms()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_casci_12rdms()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_cube_density()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_cube_orbitals()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_double_factorized_system()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_excitation_operators()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_lowdin_system()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_mulliken_pop()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_nevpt2_correction()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_orbital_coefficients()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_subsystem_driver()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_system()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.get_system_ao()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.make_actives_contiguous()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.mf_energy
        • ChemistryDriverPySCFEmbeddingROHF_UHF.mf_type
        • ChemistryDriverPySCFEmbeddingROHF_UHF.n_electron
        • ChemistryDriverPySCFEmbeddingROHF_UHF.n_orb
        • ChemistryDriverPySCFEmbeddingROHF_UHF.print_json_report()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.run_casci()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.run_ccsd()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.run_hf()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.run_mp2()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.set_checkfile()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.set_diis_space_dimension()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.set_init_orbitals()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.set_level_shift()
        • ChemistryDriverPySCFEmbeddingROHF_UHF.set_max_scf_cycles()
      • ChemistryDriverPySCFGammaRHF
        • ChemistryDriverPySCFGammaRHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFGammaRHF.compute_one_electron_operator()
        • ChemistryDriverPySCFGammaRHF.extract_point_group_information()
        • ChemistryDriverPySCFGammaRHF.from_mf()
        • ChemistryDriverPySCFGammaRHF.frozen
        • ChemistryDriverPySCFGammaRHF.generate_report()
        • ChemistryDriverPySCFGammaRHF.get_ac0_correction()
        • ChemistryDriverPySCFGammaRHF.get_casci_1234pdms()
        • ChemistryDriverPySCFGammaRHF.get_casci_12rdms()
        • ChemistryDriverPySCFGammaRHF.get_cube_density()
        • ChemistryDriverPySCFGammaRHF.get_cube_orbitals()
        • ChemistryDriverPySCFGammaRHF.get_double_factorized_system()
        • ChemistryDriverPySCFGammaRHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFGammaRHF.get_excitation_operators()
        • ChemistryDriverPySCFGammaRHF.get_lowdin_system()
        • ChemistryDriverPySCFGammaRHF.get_madelung_constant()
        • ChemistryDriverPySCFGammaRHF.get_mulliken_pop()
        • ChemistryDriverPySCFGammaRHF.get_nevpt2_correction()
        • ChemistryDriverPySCFGammaRHF.get_orbital_coefficients()
        • ChemistryDriverPySCFGammaRHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFGammaRHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFGammaRHF.get_subsystem_driver()
        • ChemistryDriverPySCFGammaRHF.get_system()
        • ChemistryDriverPySCFGammaRHF.get_system_ao()
        • ChemistryDriverPySCFGammaRHF.make_actives_contiguous()
        • ChemistryDriverPySCFGammaRHF.mf_energy
        • ChemistryDriverPySCFGammaRHF.mf_type
        • ChemistryDriverPySCFGammaRHF.n_electron
        • ChemistryDriverPySCFGammaRHF.n_orb
        • ChemistryDriverPySCFGammaRHF.print_json_report()
        • ChemistryDriverPySCFGammaRHF.run_casci()
        • ChemistryDriverPySCFGammaRHF.run_ccsd()
        • ChemistryDriverPySCFGammaRHF.run_hf()
        • ChemistryDriverPySCFGammaRHF.run_mp2()
        • ChemistryDriverPySCFGammaRHF.set_checkfile()
        • ChemistryDriverPySCFGammaRHF.set_diis_space_dimension()
        • ChemistryDriverPySCFGammaRHF.set_init_orbitals()
        • ChemistryDriverPySCFGammaRHF.set_level_shift()
        • ChemistryDriverPySCFGammaRHF.set_max_scf_cycles()
      • ChemistryDriverPySCFGammaROHF
        • ChemistryDriverPySCFGammaROHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFGammaROHF.compute_one_electron_operator()
        • ChemistryDriverPySCFGammaROHF.extract_point_group_information()
        • ChemistryDriverPySCFGammaROHF.from_mf()
        • ChemistryDriverPySCFGammaROHF.frozen
        • ChemistryDriverPySCFGammaROHF.generate_report()
        • ChemistryDriverPySCFGammaROHF.get_ac0_correction()
        • ChemistryDriverPySCFGammaROHF.get_casci_1234pdms()
        • ChemistryDriverPySCFGammaROHF.get_casci_12rdms()
        • ChemistryDriverPySCFGammaROHF.get_cube_density()
        • ChemistryDriverPySCFGammaROHF.get_cube_orbitals()
        • ChemistryDriverPySCFGammaROHF.get_double_factorized_system()
        • ChemistryDriverPySCFGammaROHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFGammaROHF.get_excitation_operators()
        • ChemistryDriverPySCFGammaROHF.get_lowdin_system()
        • ChemistryDriverPySCFGammaROHF.get_madelung_constant()
        • ChemistryDriverPySCFGammaROHF.get_mulliken_pop()
        • ChemistryDriverPySCFGammaROHF.get_nevpt2_correction()
        • ChemistryDriverPySCFGammaROHF.get_orbital_coefficients()
        • ChemistryDriverPySCFGammaROHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFGammaROHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFGammaROHF.get_subsystem_driver()
        • ChemistryDriverPySCFGammaROHF.get_system()
        • ChemistryDriverPySCFGammaROHF.get_system_ao()
        • ChemistryDriverPySCFGammaROHF.make_actives_contiguous()
        • ChemistryDriverPySCFGammaROHF.mf_energy
        • ChemistryDriverPySCFGammaROHF.mf_type
        • ChemistryDriverPySCFGammaROHF.n_electron
        • ChemistryDriverPySCFGammaROHF.n_orb
        • ChemistryDriverPySCFGammaROHF.print_json_report()
        • ChemistryDriverPySCFGammaROHF.run_casci()
        • ChemistryDriverPySCFGammaROHF.run_ccsd()
        • ChemistryDriverPySCFGammaROHF.run_hf()
        • ChemistryDriverPySCFGammaROHF.run_mp2()
        • ChemistryDriverPySCFGammaROHF.set_checkfile()
        • ChemistryDriverPySCFGammaROHF.set_diis_space_dimension()
        • ChemistryDriverPySCFGammaROHF.set_init_orbitals()
        • ChemistryDriverPySCFGammaROHF.set_level_shift()
        • ChemistryDriverPySCFGammaROHF.set_max_scf_cycles()
      • ChemistryDriverPySCFIntegrals
        • ChemistryDriverPySCFIntegrals.from_integral_operator()
        • ChemistryDriverPySCFIntegrals.frozen
        • ChemistryDriverPySCFIntegrals.generate_report()
        • ChemistryDriverPySCFIntegrals.get_ac0_correction()
        • ChemistryDriverPySCFIntegrals.get_casci_1234pdms()
        • ChemistryDriverPySCFIntegrals.get_casci_12rdms()
        • ChemistryDriverPySCFIntegrals.get_double_factorized_system()
        • ChemistryDriverPySCFIntegrals.get_excitation_amplitudes()
        • ChemistryDriverPySCFIntegrals.get_excitation_operators()
        • ChemistryDriverPySCFIntegrals.get_lowdin_system()
        • ChemistryDriverPySCFIntegrals.get_nevpt2_correction()
        • ChemistryDriverPySCFIntegrals.get_one_body_rdm()
        • ChemistryDriverPySCFIntegrals.get_orbital_coefficients()
        • ChemistryDriverPySCFIntegrals.get_rdm1_ccsd()
        • ChemistryDriverPySCFIntegrals.get_rdm2_ccsd()
        • ChemistryDriverPySCFIntegrals.get_subsystem_driver()
        • ChemistryDriverPySCFIntegrals.get_system()
        • ChemistryDriverPySCFIntegrals.get_system_ao()
        • ChemistryDriverPySCFIntegrals.make_actives_contiguous()
        • ChemistryDriverPySCFIntegrals.mf_energy
        • ChemistryDriverPySCFIntegrals.mf_type
        • ChemistryDriverPySCFIntegrals.mo_coeff
        • ChemistryDriverPySCFIntegrals.n_electron
        • ChemistryDriverPySCFIntegrals.n_orb
        • ChemistryDriverPySCFIntegrals.print_json_report()
        • ChemistryDriverPySCFIntegrals.run_casci()
        • ChemistryDriverPySCFIntegrals.run_ccsd()
        • ChemistryDriverPySCFIntegrals.run_hf()
        • ChemistryDriverPySCFIntegrals.run_mp2()
        • ChemistryDriverPySCFIntegrals.set_checkfile()
        • ChemistryDriverPySCFIntegrals.set_diis_space_dimension()
        • ChemistryDriverPySCFIntegrals.set_init_orbitals()
        • ChemistryDriverPySCFIntegrals.set_level_shift()
        • ChemistryDriverPySCFIntegrals.set_max_scf_cycles()
      • ChemistryDriverPySCFMolecularRHF
        • ChemistryDriverPySCFMolecularRHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFMolecularRHF.compute_one_electron_operator()
        • ChemistryDriverPySCFMolecularRHF.extract_point_group_information()
        • ChemistryDriverPySCFMolecularRHF.from_mf()
        • ChemistryDriverPySCFMolecularRHF.frozen
        • ChemistryDriverPySCFMolecularRHF.generate_report()
        • ChemistryDriverPySCFMolecularRHF.get_ac0_correction()
        • ChemistryDriverPySCFMolecularRHF.get_casci_1234pdms()
        • ChemistryDriverPySCFMolecularRHF.get_casci_12rdms()
        • ChemistryDriverPySCFMolecularRHF.get_cube_density()
        • ChemistryDriverPySCFMolecularRHF.get_cube_orbitals()
        • ChemistryDriverPySCFMolecularRHF.get_double_factorized_system()
        • ChemistryDriverPySCFMolecularRHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFMolecularRHF.get_excitation_operators()
        • ChemistryDriverPySCFMolecularRHF.get_lowdin_system()
        • ChemistryDriverPySCFMolecularRHF.get_mulliken_pop()
        • ChemistryDriverPySCFMolecularRHF.get_nevpt2_correction()
        • ChemistryDriverPySCFMolecularRHF.get_orbital_coefficients()
        • ChemistryDriverPySCFMolecularRHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFMolecularRHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFMolecularRHF.get_subsystem_driver()
        • ChemistryDriverPySCFMolecularRHF.get_system()
        • ChemistryDriverPySCFMolecularRHF.get_system_ao()
        • ChemistryDriverPySCFMolecularRHF.make_actives_contiguous()
        • ChemistryDriverPySCFMolecularRHF.mf_energy
        • ChemistryDriverPySCFMolecularRHF.mf_type
        • ChemistryDriverPySCFMolecularRHF.n_electron
        • ChemistryDriverPySCFMolecularRHF.n_orb
        • ChemistryDriverPySCFMolecularRHF.print_json_report()
        • ChemistryDriverPySCFMolecularRHF.run_casci()
        • ChemistryDriverPySCFMolecularRHF.run_ccsd()
        • ChemistryDriverPySCFMolecularRHF.run_hf()
        • ChemistryDriverPySCFMolecularRHF.run_mp2()
        • ChemistryDriverPySCFMolecularRHF.set_checkfile()
        • ChemistryDriverPySCFMolecularRHF.set_diis_space_dimension()
        • ChemistryDriverPySCFMolecularRHF.set_init_orbitals()
        • ChemistryDriverPySCFMolecularRHF.set_level_shift()
        • ChemistryDriverPySCFMolecularRHF.set_max_scf_cycles()
      • ChemistryDriverPySCFMolecularRHFQMMMCOSMO
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.build_mm_charges()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.compute_nuclear_dipole()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.compute_one_electron_operator()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.extract_point_group_information()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.from_mf()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.frozen
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.generate_report()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_ac0_correction()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_casci_1234pdms()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_casci_12rdms()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_cube_density()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_cube_orbitals()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_double_factorized_system()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_excitation_amplitudes()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_excitation_operators()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_lowdin_system()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_mm_coulomb()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_mulliken_pop()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_nevpt2_correction()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_orbital_coefficients()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_rdm1_ccsd()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_rdm2_ccsd()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_subsystem_driver()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_system()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.get_system_ao()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.make_actives_contiguous()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.mf_energy
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.mf_type
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.n_electron
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.n_orb
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.print_json_report()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.run_casci()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.run_ccsd()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.run_hf()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.run_mp2()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.set_checkfile()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.set_diis_space_dimension()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.set_init_orbitals()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.set_level_shift()
        • ChemistryDriverPySCFMolecularRHFQMMMCOSMO.set_max_scf_cycles()
      • ChemistryDriverPySCFMolecularROHF
        • ChemistryDriverPySCFMolecularROHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFMolecularROHF.compute_one_electron_operator()
        • ChemistryDriverPySCFMolecularROHF.extract_point_group_information()
        • ChemistryDriverPySCFMolecularROHF.from_mf()
        • ChemistryDriverPySCFMolecularROHF.frozen
        • ChemistryDriverPySCFMolecularROHF.generate_report()
        • ChemistryDriverPySCFMolecularROHF.get_ac0_correction()
        • ChemistryDriverPySCFMolecularROHF.get_casci_1234pdms()
        • ChemistryDriverPySCFMolecularROHF.get_casci_12rdms()
        • ChemistryDriverPySCFMolecularROHF.get_cube_density()
        • ChemistryDriverPySCFMolecularROHF.get_cube_orbitals()
        • ChemistryDriverPySCFMolecularROHF.get_double_factorized_system()
        • ChemistryDriverPySCFMolecularROHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFMolecularROHF.get_excitation_operators()
        • ChemistryDriverPySCFMolecularROHF.get_lowdin_system()
        • ChemistryDriverPySCFMolecularROHF.get_mulliken_pop()
        • ChemistryDriverPySCFMolecularROHF.get_nevpt2_correction()
        • ChemistryDriverPySCFMolecularROHF.get_orbital_coefficients()
        • ChemistryDriverPySCFMolecularROHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFMolecularROHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFMolecularROHF.get_subsystem_driver()
        • ChemistryDriverPySCFMolecularROHF.get_system()
        • ChemistryDriverPySCFMolecularROHF.get_system_ao()
        • ChemistryDriverPySCFMolecularROHF.make_actives_contiguous()
        • ChemistryDriverPySCFMolecularROHF.mf_energy
        • ChemistryDriverPySCFMolecularROHF.mf_type
        • ChemistryDriverPySCFMolecularROHF.n_electron
        • ChemistryDriverPySCFMolecularROHF.n_orb
        • ChemistryDriverPySCFMolecularROHF.print_json_report()
        • ChemistryDriverPySCFMolecularROHF.run_casci()
        • ChemistryDriverPySCFMolecularROHF.run_ccsd()
        • ChemistryDriverPySCFMolecularROHF.run_hf()
        • ChemistryDriverPySCFMolecularROHF.run_mp2()
        • ChemistryDriverPySCFMolecularROHF.set_checkfile()
        • ChemistryDriverPySCFMolecularROHF.set_diis_space_dimension()
        • ChemistryDriverPySCFMolecularROHF.set_init_orbitals()
        • ChemistryDriverPySCFMolecularROHF.set_level_shift()
        • ChemistryDriverPySCFMolecularROHF.set_max_scf_cycles()
      • ChemistryDriverPySCFMolecularROHFQMMMCOSMO
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.build_mm_charges()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.compute_nuclear_dipole()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.compute_one_electron_operator()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.extract_point_group_information()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.from_mf()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.frozen
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.generate_report()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_ac0_correction()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_casci_1234pdms()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_casci_12rdms()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_cube_density()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_cube_orbitals()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_double_factorized_system()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_excitation_amplitudes()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_excitation_operators()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_lowdin_system()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_mm_coulomb()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_mulliken_pop()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_nevpt2_correction()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_orbital_coefficients()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_rdm1_ccsd()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_rdm2_ccsd()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_subsystem_driver()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_system()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.get_system_ao()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.make_actives_contiguous()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.mf_energy
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.mf_type
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.n_electron
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.n_orb
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.print_json_report()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.run_casci()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.run_ccsd()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.run_hf()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.run_mp2()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.set_checkfile()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.set_diis_space_dimension()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.set_init_orbitals()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.set_level_shift()
        • ChemistryDriverPySCFMolecularROHFQMMMCOSMO.set_max_scf_cycles()
      • ChemistryDriverPySCFMolecularUHF
        • ChemistryDriverPySCFMolecularUHF.compute_nuclear_dipole()
        • ChemistryDriverPySCFMolecularUHF.compute_one_electron_operator()
        • ChemistryDriverPySCFMolecularUHF.extract_point_group_information()
        • ChemistryDriverPySCFMolecularUHF.from_mf()
        • ChemistryDriverPySCFMolecularUHF.frozen
        • ChemistryDriverPySCFMolecularUHF.generate_report()
        • ChemistryDriverPySCFMolecularUHF.get_ac0_correction()
        • ChemistryDriverPySCFMolecularUHF.get_casci_1234pdms()
        • ChemistryDriverPySCFMolecularUHF.get_casci_12rdms()
        • ChemistryDriverPySCFMolecularUHF.get_cube_density()
        • ChemistryDriverPySCFMolecularUHF.get_cube_orbitals()
        • ChemistryDriverPySCFMolecularUHF.get_double_factorized_system()
        • ChemistryDriverPySCFMolecularUHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFMolecularUHF.get_excitation_operators()
        • ChemistryDriverPySCFMolecularUHF.get_lowdin_system()
        • ChemistryDriverPySCFMolecularUHF.get_mulliken_pop()
        • ChemistryDriverPySCFMolecularUHF.get_nevpt2_correction()
        • ChemistryDriverPySCFMolecularUHF.get_orbital_coefficients()
        • ChemistryDriverPySCFMolecularUHF.get_rdm1_ccsd()
        • ChemistryDriverPySCFMolecularUHF.get_rdm2_ccsd()
        • ChemistryDriverPySCFMolecularUHF.get_subsystem_driver()
        • ChemistryDriverPySCFMolecularUHF.get_system()
        • ChemistryDriverPySCFMolecularUHF.get_system_ao()
        • ChemistryDriverPySCFMolecularUHF.make_actives_contiguous()
        • ChemistryDriverPySCFMolecularUHF.mf_energy
        • ChemistryDriverPySCFMolecularUHF.mf_type
        • ChemistryDriverPySCFMolecularUHF.n_electron
        • ChemistryDriverPySCFMolecularUHF.n_orb
        • ChemistryDriverPySCFMolecularUHF.print_json_report()
        • ChemistryDriverPySCFMolecularUHF.run_casci()
        • ChemistryDriverPySCFMolecularUHF.run_ccsd()
        • ChemistryDriverPySCFMolecularUHF.run_hf()
        • ChemistryDriverPySCFMolecularUHF.run_mp2()
        • ChemistryDriverPySCFMolecularUHF.set_checkfile()
        • ChemistryDriverPySCFMolecularUHF.set_diis_space_dimension()
        • ChemistryDriverPySCFMolecularUHF.set_init_orbitals()
        • ChemistryDriverPySCFMolecularUHF.set_level_shift()
        • ChemistryDriverPySCFMolecularUHF.set_max_scf_cycles()
      • ChemistryDriverPySCFMolecularUHFQMMMCOSMO
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.build_mm_charges()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.compute_nuclear_dipole()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.compute_one_electron_operator()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.extract_point_group_information()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.from_mf()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.frozen
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.generate_report()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_ac0_correction()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_casci_1234pdms()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_casci_12rdms()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_cube_density()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_cube_orbitals()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_double_factorized_system()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_excitation_amplitudes()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_excitation_operators()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_lowdin_system()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_mm_coulomb()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_mulliken_pop()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_nevpt2_correction()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_orbital_coefficients()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_rdm1_ccsd()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_rdm2_ccsd()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_subsystem_driver()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_system()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.get_system_ao()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.make_actives_contiguous()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.mf_energy
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.mf_type
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.n_electron
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.n_orb
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.print_json_report()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.run_casci()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.run_ccsd()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.run_hf()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.run_mp2()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.set_checkfile()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.set_diis_space_dimension()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.set_init_orbitals()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.set_level_shift()
        • ChemistryDriverPySCFMolecularUHFQMMMCOSMO.set_max_scf_cycles()
      • ChemistryDriverPySCFMomentumRHF
        • ChemistryDriverPySCFMomentumRHF.from_mf()
        • ChemistryDriverPySCFMomentumRHF.frozen
        • ChemistryDriverPySCFMomentumRHF.generate_report()
        • ChemistryDriverPySCFMomentumRHF.get_casci_1234pdms()
        • ChemistryDriverPySCFMomentumRHF.get_casci_12rdms()
        • ChemistryDriverPySCFMomentumRHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFMomentumRHF.get_excitation_operators()
        • ChemistryDriverPySCFMomentumRHF.get_madelung_constant()
        • ChemistryDriverPySCFMomentumRHF.get_system()
        • ChemistryDriverPySCFMomentumRHF.mf_energy
        • ChemistryDriverPySCFMomentumRHF.mf_type
        • ChemistryDriverPySCFMomentumRHF.n_electron
        • ChemistryDriverPySCFMomentumRHF.n_kp
        • ChemistryDriverPySCFMomentumRHF.n_orb
        • ChemistryDriverPySCFMomentumRHF.print_json_report()
        • ChemistryDriverPySCFMomentumRHF.run_casci()
        • ChemistryDriverPySCFMomentumRHF.run_ccsd()
        • ChemistryDriverPySCFMomentumRHF.run_hf()
        • ChemistryDriverPySCFMomentumRHF.run_mp2()
        • ChemistryDriverPySCFMomentumRHF.set_init_orbitals()
      • ChemistryDriverPySCFMomentumROHF
        • ChemistryDriverPySCFMomentumROHF.from_mf()
        • ChemistryDriverPySCFMomentumROHF.frozen
        • ChemistryDriverPySCFMomentumROHF.generate_report()
        • ChemistryDriverPySCFMomentumROHF.get_casci_1234pdms()
        • ChemistryDriverPySCFMomentumROHF.get_casci_12rdms()
        • ChemistryDriverPySCFMomentumROHF.get_excitation_amplitudes()
        • ChemistryDriverPySCFMomentumROHF.get_excitation_operators()
        • ChemistryDriverPySCFMomentumROHF.get_madelung_constant()
        • ChemistryDriverPySCFMomentumROHF.get_system()
        • ChemistryDriverPySCFMomentumROHF.mf_energy
        • ChemistryDriverPySCFMomentumROHF.mf_type
        • ChemistryDriverPySCFMomentumROHF.n_electron
        • ChemistryDriverPySCFMomentumROHF.n_kp
        • ChemistryDriverPySCFMomentumROHF.n_orb
        • ChemistryDriverPySCFMomentumROHF.print_json_report()
        • ChemistryDriverPySCFMomentumROHF.run_casci()
        • ChemistryDriverPySCFMomentumROHF.run_ccsd()
        • ChemistryDriverPySCFMomentumROHF.run_hf()
        • ChemistryDriverPySCFMomentumROHF.run_mp2()
        • ChemistryDriverPySCFMomentumROHF.set_init_orbitals()
      • DMETRHFFragmentPySCFActive
        • DMETRHFFragmentPySCFActive.construct_fragment_energy_operator()
        • DMETRHFFragmentPySCFActive.solve()
        • DMETRHFFragmentPySCFActive.solve_active()
      • DMETRHFFragmentPySCFCCSD
        • DMETRHFFragmentPySCFCCSD.compute_fragment_energy()
        • DMETRHFFragmentPySCFCCSD.solve()
      • DMETRHFFragmentPySCFFCI
        • DMETRHFFragmentPySCFFCI.compute_fragment_energy()
        • DMETRHFFragmentPySCFFCI.solve()
      • DMETRHFFragmentPySCFMP2
        • DMETRHFFragmentPySCFMP2.compute_fragment_energy()
        • DMETRHFFragmentPySCFMP2.solve()
      • DMETRHFFragmentPySCFRHF
        • DMETRHFFragmentPySCFRHF.compute_fragment_energy()
        • DMETRHFFragmentPySCFRHF.solve()
      • FromActiveOrbitals
      • FromActiveSpace
      • FrozenCore
      • ImpurityDMETROHFFragmentPySCFActive
        • ImpurityDMETROHFFragmentPySCFActive.solve()
        • ImpurityDMETROHFFragmentPySCFActive.solve_active()
      • ImpurityDMETROHFFragmentPySCFCCSD
        • ImpurityDMETROHFFragmentPySCFCCSD.solve()
      • ImpurityDMETROHFFragmentPySCFFCI
        • ImpurityDMETROHFFragmentPySCFFCI.solve()
      • ImpurityDMETROHFFragmentPySCFMP2
        • ImpurityDMETROHFFragmentPySCFMP2.solve()
      • ImpurityDMETROHFFragmentPySCFROHF
        • ImpurityDMETROHFFragmentPySCFROHF.solve()
      • PySCFChemistryRestrictedIntegralOperator
        • PySCFChemistryRestrictedIntegralOperator.TOLERANCE
        • PySCFChemistryRestrictedIntegralOperator.approx_equal()
        • PySCFChemistryRestrictedIntegralOperator.copy()
        • PySCFChemistryRestrictedIntegralOperator.df()
        • PySCFChemistryRestrictedIntegralOperator.double_factorize()
        • PySCFChemistryRestrictedIntegralOperator.effective_potential()
        • PySCFChemistryRestrictedIntegralOperator.effective_potential_spin()
        • PySCFChemistryRestrictedIntegralOperator.energy()
        • PySCFChemistryRestrictedIntegralOperator.energy_electron_mean_field()
        • PySCFChemistryRestrictedIntegralOperator.is_openshell()
        • PySCFChemistryRestrictedIntegralOperator.items()
        • PySCFChemistryRestrictedIntegralOperator.load_h5()
        • PySCFChemistryRestrictedIntegralOperator.print_table()
        • PySCFChemistryRestrictedIntegralOperator.qubit_encode()
        • PySCFChemistryRestrictedIntegralOperator.rotate()
        • PySCFChemistryRestrictedIntegralOperator.run_rhf()
        • PySCFChemistryRestrictedIntegralOperator.save_h5()
        • PySCFChemistryRestrictedIntegralOperator.to_ChemistryRestrictedIntegralOperator()
        • PySCFChemistryRestrictedIntegralOperator.to_FermionOperator()
      • PySCFChemistryUnrestrictedIntegralOperator
        • PySCFChemistryUnrestrictedIntegralOperator.TOLERANCE
        • PySCFChemistryUnrestrictedIntegralOperator.approx_equal()
        • PySCFChemistryUnrestrictedIntegralOperator.copy()
        • PySCFChemistryUnrestrictedIntegralOperator.df()
        • PySCFChemistryUnrestrictedIntegralOperator.double_factorize()
        • PySCFChemistryUnrestrictedIntegralOperator.effective_potential()
        • PySCFChemistryUnrestrictedIntegralOperator.energy()
        • PySCFChemistryUnrestrictedIntegralOperator.energy_electron_mean_field()
        • PySCFChemistryUnrestrictedIntegralOperator.items()
        • PySCFChemistryUnrestrictedIntegralOperator.load_h5()
        • PySCFChemistryUnrestrictedIntegralOperator.print_table()
        • PySCFChemistryUnrestrictedIntegralOperator.qubit_encode()
        • PySCFChemistryUnrestrictedIntegralOperator.rotate()
        • PySCFChemistryUnrestrictedIntegralOperator.run_uhf()
        • PySCFChemistryUnrestrictedIntegralOperator.save_h5()
        • PySCFChemistryUnrestrictedIntegralOperator.to_ChemistryUnrestrictedIntegralOperator()
        • PySCFChemistryUnrestrictedIntegralOperator.to_FermionOperator()
      • get_correlation_potential_pattern()
      • get_fragment_orbital_masks()
      • get_fragment_orbitals()
      • inquanto.extensions.pyscf.fmo
        • FMO
        • FMOFragment
        • FMOFragmentPySCFActive
        • FMOFragmentPySCFCCSD
        • FMOFragmentPySCFMP2
        • FMOFragmentPySCFRHF
    • InQuanto-NGLView
      • VisualizerNGL
        • VisualizerNGL.visualize_fragmentation()
        • VisualizerNGL.visualize_molecule()
        • VisualizerNGL.visualize_orbitals()
        • VisualizerNGL.visualize_unit_cell()
    • InQuanto-Phayes
      • AlgorithmBayesianQPE
        • AlgorithmBayesianQPE.build()
        • AlgorithmBayesianQPE.final_pdf()
        • AlgorithmBayesianQPE.final_value()
        • AlgorithmBayesianQPE.has_updated
        • AlgorithmBayesianQPE.join()
        • AlgorithmBayesianQPE.phayes_state
        • AlgorithmBayesianQPE.run()
        • AlgorithmBayesianQPE.run_async()

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