code stringlengths 114 1.05M | path stringlengths 3 312 | quality_prob float64 0.5 0.99 | learning_prob float64 0.2 1 | filename stringlengths 3 168 | kind stringclasses 1
value |
|---|---|---|---|---|---|
from abc import ABC, abstractmethod
from typing import Dict, List, Optional, Union, Tuple
import numpy as np
from qiskit import QuantumCircuit
from qiskit.circuit import Instruction
from qiskit.quantum_info import Statevector
from qiskit.result import Result
from qiskit.opflow import OperatorBase, PauliSumOp
from qis... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/algorithms/ground_state_solvers/ground_state_solver.py | 0.96184 | 0.773559 | ground_state_solver.py | pypi |
from typing import Optional, Union, Callable, cast
import logging
import numpy as np
from qiskit.algorithms import MinimumEigensolver, VQE
from qiskit.algorithms.optimizers import Optimizer
from qiskit.circuit import QuantumCircuit
from qiskit.opflow import ExpectationBase
from qiskit.opflow.gradients import GradientB... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/algorithms/ground_state_solvers/minimum_eigensolver_factories/vqe_ucc_factory.py | 0.971163 | 0.63518 | vqe_ucc_factory.py | pypi |
from typing import Optional, Union, List, Callable
import numpy as np
from qiskit.algorithms import MinimumEigensolver, NumPyMinimumEigensolver
from qiskit_nature.deprecation import (
DeprecatedType,
deprecate_property,
deprecate_positional_arguments,
)
from qiskit_nature.converters.second_quantization impo... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/algorithms/ground_state_solvers/minimum_eigensolver_factories/numpy_minimum_eigensolver_factory.py | 0.956862 | 0.593256 | numpy_minimum_eigensolver_factory.py | pypi |
import logging
from typing import Optional, Union, Callable, cast
import numpy as np
from qiskit.algorithms import MinimumEigensolver, VQE
from qiskit.algorithms.optimizers import Optimizer
from qiskit.circuit import QuantumCircuit
from qiskit.opflow import ExpectationBase
from qiskit.opflow.gradients import GradientB... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/algorithms/ground_state_solvers/minimum_eigensolver_factories/vqe_uvcc_factory.py | 0.95469 | 0.668157 | vqe_uvcc_factory.py | pypi |
from typing import List, Union, Optional, Tuple, Dict, cast
import itertools
import logging
import sys
import numpy as np
from scipy import linalg
from qiskit.tools import parallel_map
from qiskit.tools.events import TextProgressBar
from qiskit.utils import algorithm_globals
from qiskit.algorithms import AlgorithmResu... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/algorithms/excited_states_solvers/qeom.py | 0.887003 | 0.55658 | qeom.py | pypi |
from typing import Optional, Union, List, Callable
import numpy as np
from qiskit.algorithms import Eigensolver, NumPyEigensolver
from qiskit.utils.validation import validate_min
from qiskit_nature.problems.second_quantization.base_problem import BaseProblem
from .eigensolver_factory import EigensolverFactory
class... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/algorithms/excited_states_solvers/eigensolver_factories/numpy_eigensolver_factory.py | 0.972532 | 0.677487 | numpy_eigensolver_factory.py | pypi |
from __future__ import annotations
from typing import Callable, Tuple, List, Optional, cast
import copy
import h5py
import numpy as np
import scipy.linalg
from .units_type import UnitsType
from ..deprecation import warn_deprecated, DeprecatedType, NatureDeprecationWarning
class Molecule:
"""Driver-independent ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/molecule.py | 0.956856 | 0.550487 | molecule.py | pypi |
from typing import Optional, Dict, Any, Type
import logging
import importlib
from enum import Enum
from qiskit.exceptions import MissingOptionalLibraryError
from qiskit_nature.properties.second_quantization.vibrational import (
VibrationalStructureDriverResult,
)
from .vibrational_structure_driver import Vibration... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/second_quantization/vibrational_structure_molecule_driver.py | 0.918754 | 0.226816 | vibrational_structure_molecule_driver.py | pypi |
from typing import Optional, Dict, Any, Type
import logging
import importlib
from enum import Enum
from qiskit.exceptions import MissingOptionalLibraryError
from qiskit_nature.properties.second_quantization.electronic import ElectronicStructureDriverResult
from .electronic_structure_driver import ElectronicStructureDr... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/second_quantization/electronic_structure_molecule_driver.py | 0.901202 | 0.208582 | electronic_structure_molecule_driver.py | pypi |
import logging
import pathlib
import warnings
import h5py
from qiskit_nature import QiskitNatureError
from qiskit_nature.hdf5 import load_from_hdf5, save_to_hdf5
from qiskit_nature.properties.second_quantization.second_quantized_property import (
GroupedSecondQuantizedProperty,
)
from qiskit_nature.properties.sec... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/second_quantization/hdf5d/hdf5driver.py | 0.805441 | 0.302636 | hdf5driver.py | pypi |
from typing import List, Optional, cast
from qiskit_nature import QiskitNatureError
from qiskit_nature.properties.second_quantization.electronic import (
ElectronicStructureDriverResult,
ElectronicEnergy,
ParticleNumber,
)
from qiskit_nature.properties.second_quantization.electronic.bases import Electronic... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/second_quantization/fcidumpd/fcidumpdriver.py | 0.9598 | 0.536131 | fcidumpdriver.py | pypi |
from __future__ import annotations
from typing import Union
import logging
from qiskit_nature import QiskitNatureError
import qiskit_nature.optionals as _optionals
from ..base_driver import BaseDriver
from .gaussian_utils import run_g16
from .gaussian_log_result import GaussianLogResult
logger = logging.getLogger(_... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/second_quantization/gaussiand/gaussian_log_driver.py | 0.933786 | 0.262422 | gaussian_log_driver.py | pypi |
from __future__ import annotations
from typing import Any, Optional, Union
from qiskit_nature import QiskitNatureError
from qiskit_nature.properties.second_quantization.vibrational import (
OccupiedModals,
VibrationalStructureDriverResult,
)
import qiskit_nature.optionals as _optionals
from ...units_type impo... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/second_quantization/gaussiand/gaussian_forces_driver.py | 0.948478 | 0.388734 | gaussian_forces_driver.py | pypi |
from __future__ import annotations
import math
import warnings
from typing import List, Tuple, Union, cast
import copy
import logging
import re
from qiskit_nature.deprecation import deprecate_method, DeprecatedType
from qiskit_nature.drivers import WatsonHamiltonian
from qiskit_nature.properties.second_quantization.v... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/second_quantization/gaussiand/gaussian_log_result.py | 0.888272 | 0.409604 | gaussian_log_result.py | pypi |
from typing import Dict, List, Tuple
import numpy as np
from qiskit_nature.drivers import WatsonHamiltonian
from .bosonic_basis import BosonicBasis
from ...deprecation import DeprecatedType, warn_deprecated_same_type_name
class HarmonicBasis(BosonicBasis):
"""**DEPRECATED** Basis in which the Watson Hamiltonian... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/drivers/bosonic_bases/harmonic_basis.py | 0.916491 | 0.758868 | harmonic_basis.py | pypi |
"""Eigenstate results module."""
from typing import Optional, List, Tuple, Union
import inspect
import numpy as np
from qiskit import QuantumCircuit
from qiskit.circuit import Instruction
from qiskit.quantum_info import Statevector
from qiskit.result import Result
from qiskit.algorithms import AlgorithmResult
from qi... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/results/eigenstate_result.py | 0.94732 | 0.652214 | eigenstate_result.py | pypi |
from typing import List, Optional
import numpy as np
from qiskit.algorithms import AlgorithmResult
from .eigenstate_result import EigenstateResult
class LatticeModelResult(EigenstateResult):
"""The lattice model result."""
def __init__(self) -> None:
super().__init__()
self._algorithm_resul... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/results/lattice_model_result.py | 0.939533 | 0.491944 | lattice_model_result.py | pypi |
from typing import List, Optional
from qiskit.utils import optionals as _optionals
from ..problems.sampling.protein_folding.peptide.peptide import Peptide
from .eigenstate_result import EigenstateResult
from .utils.protein_plotter import ProteinPlotter
from .utils.protein_shape_decoder import ProteinShapeDecoder
from .... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/results/protein_folding_result.py | 0.964009 | 0.568176 | protein_folding_result.py | pypi |
from typing import List, Optional
import numpy as np
from qiskit.algorithms import AlgorithmResult
from .eigenstate_result import EigenstateResult
class VibrationalStructureResult(EigenstateResult):
"""The vibrational structure result."""
def __init__(self) -> None:
super().__init__()
self.... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/results/vibrational_structure_result.py | 0.864654 | 0.565059 | vibrational_structure_result.py | pypi |
from functools import reduce
from typing import Dict, List, Optional, Tuple, cast
import numpy as np
from qiskit_nature.constants import DEBYE
from .eigenstate_result import EigenstateResult
# A dipole moment, when present as X, Y and Z components will normally have float values for all
# the components. However wh... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/results/electronic_structure_result.py | 0.916955 | 0.646934 | electronic_structure_result.py | pypi |
"""An auxiliary class that gets the coordinates of aminoacids of a molecule
in ProteinFoldingResult."""
import os
from typing import Union, List, Optional
import numpy as np
from qiskit_nature.problems.sampling.protein_folding.peptide.peptide import Peptide
class ProteinShapeFileGen:
"""This class handles the cr... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/results/utils/protein_shape_file_gen.py | 0.948346 | 0.800302 | protein_shape_file_gen.py | pypi |
from typing import Optional
import numpy as np
from qiskit.utils import optionals as _optionals
from qiskit_nature.results.utils.protein_shape_file_gen import ProteinShapeFileGen
if _optionals.HAS_MATPLOTLIB:
# pylint: disable=import-error,unused-import
from matplotlib.pyplot import figure
from matplotli... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/results/utils/protein_plotter.py | 0.951063 | 0.318008 | protein_plotter.py | pypi |
from __future__ import annotations
from collections.abc import Iterable
from typing import Generator, Generic, Optional, Type, TypeVar, Union
import h5py
from qiskit_nature.hdf5 import _import_and_build_from_hdf5
from qiskit_nature.results import EigenstateResult
from .property import Interpretable, Property
from ..... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/grouped_property.py | 0.948094 | 0.442034 | grouped_property.py | pypi |
from __future__ import annotations
from abc import ABC
import logging
import sys
import h5py
from qiskit_nature.deprecation import warn_deprecated, DeprecatedType, NatureDeprecationWarning
from qiskit_nature.results import EigenstateResult
if sys.version_info >= (3, 8):
# pylint: disable=no-name-in-module
f... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/property.py | 0.809238 | 0.335228 | property.py | pypi |
from __future__ import annotations
from abc import abstractmethod
from typing import Any, Type, TypeVar, Union
from qiskit_nature import ListOrDictType, QiskitNatureError
from qiskit_nature.drivers import QMolecule, WatsonHamiltonian
from qiskit_nature.operators.second_quantization import SecondQuantizedOp
from ..gr... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/second_quantized_property.py | 0.92964 | 0.551272 | second_quantized_property.py | pypi |
from __future__ import annotations
import h5py
from ..property import Property
from ...deprecation import warn_deprecated, DeprecatedType, NatureDeprecationWarning
class DriverMetadata(Property):
"""A meta-data storage container for driver information."""
_HDF5_ATTR_PROGRAM = "program"
_HDF5_ATTR_VERSI... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/driver_metadata.py | 0.850918 | 0.21262 | driver_metadata.py | pypi |
from __future__ import annotations
from typing import cast
import h5py
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.drivers import QMolecule
from qiskit_nature.operators.second_quantization import FermionicOp
from qiskit_nature.results import EigenstateResult
from ..second_quantized_propert... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/magnetization.py | 0.938166 | 0.439146 | magnetization.py | pypi |
from __future__ import annotations
import logging
from typing import cast, Optional
import itertools
import h5py
import numpy as np
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.drivers import QMolecule
from qiskit_nature.operators.second_quantization import FermionicOp
from qiskit_nature.re... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/angular_momentum.py | 0.955246 | 0.630571 | angular_momentum.py | pypi |
from __future__ import annotations
from typing import Optional, cast
import h5py
import numpy as np
from qiskit_nature.drivers import QMolecule
from qiskit_nature.results import EigenstateResult
from ..second_quantized_property import LegacyDriverResult
from .bases import ElectronicBasis
from .integrals import (
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/electronic_energy.py | 0.961107 | 0.501831 | electronic_energy.py | pypi |
from __future__ import annotations
from typing import cast
import h5py
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.constants import BOHR
from qiskit_nature.drivers import Molecule
from qiskit_nature.drivers import QMolecule
from qiskit_nature.operators.second_quantization import FermionicOp... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/electronic_structure_driver_result.py | 0.928656 | 0.498291 | electronic_structure_driver_result.py | pypi |
from __future__ import annotations
import logging
from typing import Optional, Union, cast
import h5py
import numpy as np
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.drivers import QMolecule
from qiskit_nature.operators.second_quantization import FermionicOp
from qiskit_nature.results impor... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/particle_number.py | 0.950881 | 0.636883 | particle_number.py | pypi |
r"""
Electronic Structure Properties (:mod:`qiskit_nature.properties.second_quantization.electronic`)
================================================================================================
.. currentmodule:: qiskit_nature.properties.second_quantization.electronic
This module provides commonly evaluated prop... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/__init__.py | 0.886562 | 0.659601 | __init__.py | pypi |
from __future__ import annotations
from typing import Optional
import h5py
import numpy as np
from .electronic_basis import ElectronicBasis
from ....property import Property
class ElectronicBasisTransform(Property):
"""This class contains the coefficients required to map from one basis into another."""
d... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/bases/electronic_basis_transform.py | 0.958751 | 0.653818 | electronic_basis_transform.py | pypi |
from __future__ import annotations
from typing import Optional, Union
import numpy as np
from qiskit_nature import QiskitNatureError
from .electronic_integrals import ElectronicIntegrals
from ..bases import ElectronicBasis, ElectronicBasisTransform
from .....deprecation import warn_deprecated, DeprecatedType, Natur... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/integrals/one_body_electronic_integrals.py | 0.956299 | 0.608536 | one_body_electronic_integrals.py | pypi |
from __future__ import annotations
from typing import Generator, Optional
import h5py
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.operators.second_quantization import FermionicOp
from qiskit_nature.results import EigenstateResult
from ...second_quantized_property import LegacyDriverResult
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/integrals/integral_property.py | 0.960768 | 0.574634 | integral_property.py | pypi |
from __future__ import annotations
import importlib
from abc import ABC, abstractmethod
from copy import deepcopy
from typing import Generator, Optional, Union
import h5py
import numpy as np
from qiskit_nature.operators.second_quantization import FermionicOp
from ..bases import ElectronicBasis, ElectronicBasisTrans... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/integrals/electronic_integrals.py | 0.954573 | 0.570989 | electronic_integrals.py | pypi |
from __future__ import annotations
from typing import Optional, Union, cast
import numpy as np
from qiskit_nature import QiskitNatureError
from qiskit_nature.settings import settings
from .electronic_integrals import ElectronicIntegrals
from .one_body_electronic_integrals import OneBodyElectronicIntegrals
from ..ba... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/electronic/integrals/two_body_electronic_integrals.py | 0.883513 | 0.622316 | two_body_electronic_integrals.py | pypi |
from __future__ import annotations
from typing import cast, Generator, Optional
import h5py
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.drivers import WatsonHamiltonian
from qiskit_nature.operators.second_quantization import VibrationalOp
from qiskit_nature.results import EigenstateResult
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/vibrational/vibrational_energy.py | 0.958138 | 0.524943 | vibrational_energy.py | pypi |
from __future__ import annotations
from typing import Optional
import h5py
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.drivers import WatsonHamiltonian
from qiskit_nature.operators.second_quantization import VibrationalOp
from qiskit_nature.results import EigenstateResult
from ..second_qua... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/vibrational/occupied_modals.py | 0.937247 | 0.431824 | occupied_modals.py | pypi |
from __future__ import annotations
from typing import cast
import h5py
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.drivers import WatsonHamiltonian
from qiskit_nature.operators.second_quantization import VibrationalOp
from ..second_quantized_property import LegacyDriverResult
from .bases i... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/vibrational/vibrational_structure_driver_result.py | 0.915466 | 0.5083 | vibrational_structure_driver_result.py | pypi |
from typing import Optional
import numpy as np
from .vibrational_basis import VibrationalBasis
class HarmonicBasis(VibrationalBasis):
"""The Harmonic basis.
This class uses the Hermite polynomials (eigenstates of the harmonic oscillator) as a modal
basis for the expression of the Watson Hamiltonian or ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/vibrational/bases/harmonic_basis.py | 0.958799 | 0.709611 | harmonic_basis.py | pypi |
from __future__ import annotations
import importlib
from abc import ABC, abstractmethod
from typing import Optional
import h5py
class VibrationalBasis(ABC):
"""The Vibrational basis base class.
This class defines the interface which any vibrational basis must implement. A basis must be
applied to the v... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/vibrational/bases/vibrational_basis.py | 0.96038 | 0.443841 | vibrational_basis.py | pypi |
from __future__ import annotations
from abc import ABC
from collections import Counter
from itertools import chain, cycle, permutations, product, tee
from typing import Optional
import h5py
import numpy as np
from qiskit_nature import QiskitNatureError
from qiskit_nature.operators.second_quantization import Vibratio... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/properties/second_quantization/vibrational/integrals/vibrational_integrals.py | 0.958915 | 0.518912 | vibrational_integrals.py | pypi |
from __future__ import annotations
from typing import TYPE_CHECKING, List, Sequence, Tuple, Union
import numpy as np
from qiskit import QuantumRegister
from qiskit.circuit import Gate, Qubit
from qiskit.circuit.library import XGate, XXPlusYYGate
# HACK: Sphinx fails to handle "ellipsis"
# See https://github.com/pyth... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/utils/linalg.py | 0.953654 | 0.794385 | linalg.py | pypi |
"""The Base Problem class."""
from abc import ABC, abstractmethod
from typing import Callable, Dict, List, Optional, Tuple, Union
import numpy as np
from qiskit.opflow import PauliSumOp, Z2Symmetries
from qiskit_nature import ListOrDictType
from qiskit_nature.converters.second_quantization import QubitConverter
from... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/base_problem.py | 0.963014 | 0.714697 | base_problem.py | pypi |
"""The Electronic Structure Problem class."""
from functools import partial
from typing import cast, Callable, Dict, List, Optional, Tuple, Union
import numpy as np
from qiskit.algorithms import EigensolverResult, MinimumEigensolverResult
from qiskit.opflow import PauliSumOp
from qiskit.opflow.primitive_ops import Z... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/electronic/electronic_structure_problem.py | 0.969613 | 0.649203 | electronic_structure_problem.py | pypi |
from typing import cast, Callable, Dict, List, Tuple, Union
from qiskit.opflow import PauliSumOp
from qiskit.tools import parallel_map
from qiskit.utils import algorithm_globals
from qiskit_nature import QiskitNatureError
from qiskit_nature.circuit.library import UCC
from qiskit_nature.operators.second_quantization i... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/electronic/builders/hopping_ops_builder.py | 0.934813 | 0.754576 | hopping_ops_builder.py | pypi |
"""The Vibrational Structure Problem class."""
from functools import partial
from typing import cast, Callable, Dict, List, Optional, Tuple, Union
import numpy as np
from qiskit.algorithms import EigensolverResult, MinimumEigensolverResult
from qiskit.opflow import PauliSumOp
from qiskit_nature import ListOrDictTyp... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/vibrational/vibrational_structure_problem.py | 0.956594 | 0.720036 | vibrational_structure_problem.py | pypi |
from typing import cast, Callable, Dict, List, Tuple, Union
from qiskit.opflow import PauliSumOp
from qiskit.tools import parallel_map
from qiskit.utils import algorithm_globals
from qiskit_nature.circuit.library import UVCC
from qiskit_nature.operators.second_quantization import VibrationalOp
from qiskit_nature.conv... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/vibrational/builders/hopping_ops_builder.py | 0.919512 | 0.721523 | hopping_ops_builder.py | pypi |
"""The Lattice Model Problem class."""
from typing import Callable, Dict, List, Optional, Tuple, Union
import numpy as np
from qiskit.algorithms import EigensolverResult, MinimumEigensolverResult
from qiskit.opflow import PauliSumOp
from qiskit_nature import ListOrDictType, settings
from qiskit_nature.converters.sec... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/lattice/lattice_model_problem.py | 0.963899 | 0.711005 | lattice_model_problem.py | pypi |
from abc import ABC, abstractmethod
from typing import Optional
import numpy as np
from rustworkx import PyGraph
from qiskit_nature.operators.second_quantization import SecondQuantizedOp
from qiskit_nature.problems.second_quantization.lattice.lattices import Lattice
class LatticeModel(ABC):
"""Lattice Model"""
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/lattice/models/lattice_model.py | 0.955225 | 0.51818 | lattice_model.py | pypi |
"""The Fermi-Hubbard model"""
import numpy as np
from qiskit_nature.operators.second_quantization import FermionicOp
from qiskit_nature.problems.second_quantization.lattice.lattices import Lattice
from .lattice_model import LatticeModel
class FermiHubbardModel(LatticeModel):
"""The Fermi-Hubbard model."""
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/lattice/models/fermi_hubbard_model.py | 0.955909 | 0.737914 | fermi_hubbard_model.py | pypi |
"""The Ising model"""
import logging
from fractions import Fraction
from typing import Optional
import numpy as np
from qiskit_nature.operators.second_quantization import SpinOp
from qiskit_nature.problems.second_quantization.lattice.lattices import Lattice
from .lattice_model import LatticeModel
logger = logging.... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/lattice/models/ising_model.py | 0.966315 | 0.563318 | ising_model.py | pypi |
from copy import deepcopy
from dataclasses import asdict, dataclass
from typing import Callable, List, Optional, Sequence, Tuple, Union
import numbers
import numpy as np
from rustworkx import NodeIndices, PyGraph, WeightedEdgeList, adjacency_matrix, networkx_converter
from rustworkx.visualization import mpl_draw
fro... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/lattice/lattices/lattice.py | 0.943243 | 0.453746 | lattice.py | pypi |
"""The square lattice"""
from typing import Tuple, Union
from .boundary_condition import BoundaryCondition
from .hyper_cubic_lattice import HyperCubicLattice
class SquareLattice(HyperCubicLattice):
"""Square lattice."""
def __init__(
self,
rows: int,
cols: int,
edge_paramete... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/second_quantization/lattice/lattices/square_lattice.py | 0.958069 | 0.510069 | square_lattice.py | pypi |
"""Builds qubit operators for all Hamiltonian terms in the protein folding problem."""
from typing import Union
import numpy as np
from qiskit.opflow import OperatorBase, PauliOp, PauliSumOp
from .bead_contacts.contact_map import ContactMap
from .bead_distances.distance_map import DistanceMap
from .exceptions.invalid... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/qubit_op_builder.py | 0.963643 | 0.567577 | qubit_op_builder.py | pypi |
"""Defines a protein folding problem that can be passed to algorithms."""
from __future__ import annotations
from typing import Union, List, TYPE_CHECKING
from qiskit.opflow import PauliSumOp, PauliOp
from qiskit.algorithms import MinimumEigensolverResult
from .peptide.peptide import Peptide
from .interactions.intera... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/protein_folding_problem.py | 0.96793 | 0.789477 | protein_folding_problem.py | pypi |
"""A class that stores contacts between beads of a peptide as qubit operators."""
from typing import Dict
from .contact_map_builder import (
_create_contact_qubits,
)
from ..peptide.peptide import Peptide
class ContactMap:
"""A class that stores contacts between beads of a peptide as qubit operators. For tec... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/bead_contacts/contact_map.py | 0.94672 | 0.717408 | contact_map.py | pypi |
"""Builds a contact map that stores contacts between beads in a peptide."""
import collections
import logging
from typing import Tuple, Dict, Union
from qiskit.opflow import PauliSumOp, OperatorBase, PauliOp
from ..peptide.pauli_ops_builder import (
_build_pauli_z_op,
_build_full_identity,
)
from ..peptide.pe... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/bead_contacts/contact_map_builder.py | 0.932407 | 0.597432 | contact_map_builder.py | pypi |
"""Builds a distance map that stores distances between beads in a peptide."""
import collections
import logging
from typing import Dict, DefaultDict, Tuple, Union, List
from qiskit.opflow import OperatorBase, PauliSumOp, PauliOp
from ..peptide.beads.base_bead import BaseBead
from ..peptide.beads.main_bead import Main... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/bead_distances/distance_map_builder.py | 0.950846 | 0.51068 | distance_map_builder.py | pypi |
"""A class that stores distances between beads of a peptide as qubit operators."""
from typing import Union, Tuple, DefaultDict, Dict
import numpy as np
from qiskit.opflow import PauliSumOp, PauliOp, OperatorBase
from .distance_map_builder import DistanceMapBuilder
from ..peptide.beads.base_bead import BaseBead
from ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/bead_distances/distance_map.py | 0.975866 | 0.694299 | distance_map.py | pypi |
"""Changes certain qubits to fixed values."""
from typing import Union
import numpy as np
from qiskit.opflow import PauliSumOp, OperatorBase, PauliOp
from qiskit.quantum_info import PauliTable, SparsePauliOp, Pauli
def _fix_qubits(
operator: Union[int, PauliSumOp, PauliOp, OperatorBase],
has_side_chain_secon... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/qubit_utils/qubit_fixing.py | 0.958905 | 0.728012 | qubit_fixing.py | pypi |
"""Removes qubit registers that are not relevant for the problem."""
from typing import Union, List, Dict, Tuple
import numpy as np
from qiskit.opflow import PauliSumOp, PauliOp, OperatorBase
from qiskit.quantum_info import PauliTable, SparsePauliOp, Pauli
def _remove_unused_qubits(
total_hamiltonian: Union[Paul... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/qubit_utils/qubit_number_reducer.py | 0.938899 | 0.694018 | qubit_number_reducer.py | pypi |
"""A class containing information about beads and chains of a protein."""
from typing import List, Sequence
from .chains.side_chain import SideChain
from .chains.main_chain import MainChain
class Peptide:
"""A class containing information about beads and chains of a protein. Each bead is
characterized by a l... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/peptide/peptide.py | 0.968952 | 0.754101 | peptide.py | pypi |
"""A class defining a side bead of a peptide."""
from typing import Tuple, Optional
from qiskit.opflow import PauliOp, OperatorBase
from .base_bead import BaseBead
class SideBead(BaseBead):
"""A class defining a side bead of a peptide."""
def __init__(
self,
main_index: int,
side_in... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/peptide/beads/side_bead.py | 0.95534 | 0.678899 | side_bead.py | pypi |
"""A class defining a main bead of a peptide."""
from typing import Tuple
from qiskit.opflow import PauliOp, OperatorBase
from .base_bead import BaseBead
from ..chains.side_chain import SideChain
class MainBead(BaseBead):
"""A class defining a main bead of a peptide."""
def __init__(
self,
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/peptide/beads/main_bead.py | 0.948769 | 0.551272 | main_bead.py | pypi |
"""A class defining the main chain of a peptide."""
from typing import List, Sequence
from ...exceptions.invalid_side_chain_exception import (
InvalidSideChainException,
)
from ...exceptions.invalid_size_exception import InvalidSizeException
from ..beads.main_bead import MainBead
from .base_chain import BaseChain
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/peptide/chains/main_chain.py | 0.965308 | 0.559892 | main_chain.py | pypi |
"""A class defining a side chain of a peptide."""
from typing import List, Union, Sequence
from ...exceptions.invalid_side_chain_exception import (
InvalidSideChainException,
)
from ..beads.side_bead import SideBead
from .base_chain import BaseChain
class SideChain(BaseChain):
"""A class defining a side chai... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/problems/sampling/protein_folding/peptide/chains/side_chain.py | 0.95979 | 0.526099 | side_chain.py | pypi |
from __future__ import annotations
from collections.abc import Callable, Mapping
from itertools import product
from numbers import Number
from typing import Iterator, Type, Union, cast
import numpy as np
from qiskit.quantum_info.operators.mixins import (
LinearMixin,
GroupMixin,
TolerancesMixin,
)
from ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/polynomial_tensor.py | 0.949681 | 0.488527 | polynomial_tensor.py | pypi |
from __future__ import annotations
import re
from collections.abc import Collection, Mapping
from collections import defaultdict
from typing import cast, Iterator
from fractions import Fraction
from functools import partial, reduce
import numpy as np
from qiskit_nature import QiskitNatureError
from .polynomial_tens... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/spin_op.py | 0.842475 | 0.574216 | spin_op.py | pypi |
from __future__ import annotations
from collections.abc import Callable
from numbers import Number
from typing import Tuple, cast
import numpy as np
from qiskit.quantum_info.operators.mixins import LinearMixin
from qiskit_nature.exceptions import QiskitNatureError
import qiskit_nature.optionals as _optionals
from ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/electronic_integrals.py | 0.947866 | 0.57946 | electronic_integrals.py | pypi |
from __future__ import annotations
from enum import Enum
from typing import TYPE_CHECKING
import numpy as np
from qiskit_nature import QiskitNatureError
import qiskit_nature.optionals as _optionals
if TYPE_CHECKING:
from .symmetric_two_body import SymmetricTwoBodyIntegrals
if _optionals.HAS_SPARSE:
# pylin... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/tensor_ordering.py | 0.952695 | 0.5083 | tensor_ordering.py | pypi |
from __future__ import annotations
from abc import ABC, abstractmethod
from collections.abc import Collection, Mapping
from numbers import Complex
from typing import Iterator, Sequence, Union
import cmath
import numpy as np
from qiskit.circuit import ParameterExpression
from qiskit.quantum_info.operators.mixins impor... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/sparse_label_op.py | 0.967975 | 0.611701 | sparse_label_op.py | pypi |
from .sparse_label_op import SparseLabelOp
def commutator(op_a: SparseLabelOp, op_b: SparseLabelOp) -> SparseLabelOp:
r"""Compute commutator of `op_a` and `op_b`.
.. math::
AB - BA.
Args:
op_a: Operator A.
op_b: Operator B.
Returns:
The computed commutator.
"""
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/commutators.py | 0.948716 | 0.812496 | commutators.py | pypi |
from __future__ import annotations
from collections.abc import MutableMapping
from typing import Generic, TypeVar
# pylint: disable=invalid-name
T = TypeVar("T")
class _BitsContainer(MutableMapping, Generic[T]):
"""A bit-storage container.
This is a utility object used during the simplification process of ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/_bits_container.py | 0.958441 | 0.700856 | _bits_container.py | pypi |
from __future__ import annotations
import re
import string
from numbers import Number
from typing import Any, Generator, Sequence, Type, Union, cast
import numpy as np
from qiskit.quantum_info.operators.mixins import TolerancesMixin
import qiskit_nature.optionals as _optionals
if _optionals.HAS_SPARSE:
# pylint... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/tensor.py | 0.945412 | 0.348036 | tensor.py | pypi |
# pylint: disable=invalid-name
"""
Symmetric 2-body electronic integrals (:mod:`qiskit_nature.second_q.operators.symmetric_two_body`)
==================================================================================================
.. currentmodule:: qiskit_nature.second_q.operators.symmetric_two_body
This module ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/operators/symmetric_two_body.py | 0.917299 | 0.452657 | symmetric_two_body.py | pypi |
from __future__ import annotations
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info import SparsePauliOp
from qiskit_nature import settings
from qiskit_nature.second_q.operators import FermionicOp
from .fermionic_mapper import FermionicMapper
class InterleavedQubitMapper(FermionicMapper):
"""A ``F... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/mappers/interleaved_qubit_mapper.py | 0.940517 | 0.829285 | interleaved_qubit_mapper.py | pypi |
from __future__ import annotations
from enum import Enum
import numpy as np
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info import SparsePauliOp
from qiskit.quantum_info.operators import Pauli
from qiskit_nature import settings
from qiskit_nature.second_q.operators import FermionicOp
from .fermionic_ma... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/mappers/bksf.py | 0.952794 | 0.533641 | bksf.py | pypi |
from __future__ import annotations
import logging
from functools import lru_cache
import numpy as np
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info.analysis.z2_symmetries import Z2Symmetries
from qiskit.quantum_info.operators import Pauli, PauliList, SparsePauliOp
from qiskit_nature import settings
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/mappers/parity_mapper.py | 0.942507 | 0.60871 | parity_mapper.py | pypi |
from __future__ import annotations
from abc import ABC
from functools import lru_cache
from typing import TypeVar, Dict, Iterable, Generic, Generator
import numpy as np
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info.operators import Pauli, SparsePauliOp
from qiskit.algorithms.list_or_dict import ListOr... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/mappers/qubit_mapper.py | 0.94323 | 0.558146 | qubit_mapper.py | pypi |
from __future__ import annotations
import operator
from collections import defaultdict
from fractions import Fraction
from functools import reduce
import numpy as np
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info import SparsePauliOp
from qiskit.quantum_info.operators import Operator
from qiskit_natu... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/mappers/logarithmic_mapper.py | 0.966012 | 0.695248 | logarithmic_mapper.py | pypi |
from __future__ import annotations
import logging
from typing import cast
from qiskit.algorithms.list_or_dict import ListOrDict as ListOrDictType
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info.analysis.z2_symmetries import Z2Symmetries
from qiskit.quantum_info.operators import SparsePauliOp
from qiski... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/mappers/tapered_qubit_mapper.py | 0.936387 | 0.711039 | tapered_qubit_mapper.py | pypi |
from __future__ import annotations
import copy
import logging
from typing import Callable
import numpy as np
from qiskit.algorithms.list_or_dict import ListOrDict as ListOrDictType
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info import SparsePauliOp
from qiskit.opflow.primitive_ops import Z2Symmetries
... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/mappers/qubit_converter.py | 0.945216 | 0.74757 | qubit_converter.py | pypi |
from __future__ import annotations
from functools import lru_cache
import numpy as np
from qiskit.quantum_info.operators import Pauli
from qiskit_nature.deprecation import deprecate_arguments
from .fermionic_mapper import FermionicMapper
class BravyiKitaevMapper(FermionicMapper):
"""The Bravyi-Kitaev fermion-... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/mappers/bravyi_kitaev_mapper.py | 0.904756 | 0.493836 | bravyi_kitaev_mapper.py | pypi |
from __future__ import annotations
import warnings
import numpy as np
from qiskit import QuantumRegister
from qiskit.circuit.library import BlueprintCircuit
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info import SparsePauliOp
from qiskit.utils.validation import validate_min
from qiskit_nature.second_q.ma... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/initial_states/hartree_fock.py | 0.930284 | 0.660747 | hartree_fock.py | pypi |
from __future__ import annotations
from typing import Sequence
import numpy as np
from qiskit import QuantumCircuit, QuantumRegister
from qiskit_nature.deprecation import deprecate_arguments
from qiskit_nature.second_q.mappers import QubitConverter, QubitMapper, JordanWignerMapper
from .utils.givens_rotations import... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/initial_states/fermionic_gaussian_state.py | 0.927009 | 0.712564 | fermionic_gaussian_state.py | pypi |
from __future__ import annotations
import logging
import numpy as np
from qiskit import QuantumRegister
from qiskit.circuit.library import BlueprintCircuit
from qiskit.opflow import PauliSumOp
from qiskit.quantum_info import SparsePauliOp
from qiskit_nature.second_q.mappers import DirectMapper
from qiskit_nature.sec... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/initial_states/vscf.py | 0.935287 | 0.703702 | vscf.py | pypi |
from __future__ import annotations
import numpy as np
from qiskit import QuantumCircuit, QuantumRegister
from qiskit_nature.second_q.mappers import QubitConverter, QubitMapper
from qiskit_nature.second_q.mappers import JordanWignerMapper
from qiskit_nature.deprecation import deprecate_arguments
from .utils.givens_rot... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/initial_states/slater_determinant.py | 0.923502 | 0.789558 | slater_determinant.py | pypi |
from __future__ import annotations
from qiskit.circuit import QuantumCircuit
from qiskit_nature.deprecation import deprecate_arguments
from qiskit_nature.second_q.mappers import QubitConverter, QubitMapper
from .ucc import UCC
class UCCSD(UCC):
"""The UCCSD Ansatz.
This is a convenience subclass of the UCC ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/ansatzes/uccsd.py | 0.917562 | 0.608449 | uccsd.py | pypi |
from __future__ import annotations
from typing import Sequence, cast
from collections import defaultdict
import itertools
import logging
from qiskit.circuit import QuantumCircuit
from qiskit_nature import QiskitNatureError
from qiskit_nature.deprecation import deprecate_arguments
from qiskit_nature.second_q.mappers ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/ansatzes/succd.py | 0.956715 | 0.593374 | succd.py | pypi |
from __future__ import annotations
from typing import Any
import numpy as np
from qiskit import QuantumRegister, QuantumCircuit
from qiskit.circuit.library import BlueprintCircuit
from qiskit.circuit import ParameterVector
class CHC(BlueprintCircuit):
"""This trial wavefunction is the Compact Heuristic for vi... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/ansatzes/chc.py | 0.953264 | 0.611904 | chc.py | pypi |
from __future__ import annotations
from qiskit.circuit import QuantumCircuit
from qiskit_nature.deprecation import deprecate_arguments
from qiskit_nature.second_q.mappers import QubitConverter, QubitMapper
from .uvcc import UVCC
class UVCCSD(UVCC):
"""The UVCCSD Ansatz.
This is a convenience subclass of the... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/ansatzes/uvccsd.py | 0.911363 | 0.578508 | uvccsd.py | pypi |
from __future__ import annotations
import logging
from qiskit.circuit import QuantumCircuit
from qiskit_nature import QiskitNatureError
from qiskit_nature.deprecation import deprecate_arguments
from qiskit_nature.second_q.mappers import QubitConverter, QubitMapper
from .ucc import UCC
from .utils.fermionic_excitatio... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/ansatzes/puccd.py | 0.915931 | 0.649551 | puccd.py | pypi |
from __future__ import annotations
from typing import Any
import itertools
import logging
import operator
logger = logging.getLogger(__name__)
def generate_vibration_excitations(
num_excitations: int,
num_modals: list[int],
) -> list[tuple[tuple[Any, ...], ...]]:
"""Generates all possible excitations w... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/circuit/library/ansatzes/utils/vibration_excitation_generator.py | 0.916319 | 0.502197 | vibration_excitation_generator.py | pypi |
from __future__ import annotations
from copy import copy
from typing import MutableMapping
import numpy as np
import qiskit_nature # pylint: disable=unused-import
from qiskit_nature.second_q.operators import (
ElectronicIntegrals,
FermionicOp,
PolynomialTensor,
Tensor,
)
from .hamiltonian import Ha... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/hamiltonians/electronic_energy.py | 0.949083 | 0.719728 | electronic_energy.py | pypi |
from __future__ import annotations
from typing import cast
import numpy as np
import scipy.linalg
from qiskit_nature.second_q.operators import FermionicOp, PolynomialTensor
from .hamiltonian import Hamiltonian
def _is_hermitian(mat: np.ndarray, rtol: float = 1e-5, atol: float = 1e-8) -> bool:
return np.allclos... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/hamiltonians/quadratic_hamiltonian.py | 0.956462 | 0.601272 | quadratic_hamiltonian.py | pypi |
"""The Fermi-Hubbard model"""
import numpy as np
from qiskit_nature.second_q.operators import FermionicOp
from .lattice_model import LatticeModel
from .lattices import Lattice
class FermiHubbardModel(LatticeModel):
r"""The Fermi-Hubbard model.
This class implements the following Hamiltonian:
.. math:... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/hamiltonians/fermi_hubbard_model.py | 0.954753 | 0.817647 | fermi_hubbard_model.py | pypi |
from __future__ import annotations
from fractions import Fraction
import numpy as np
from qiskit_nature.second_q.operators import SpinOp
from .lattice_model import LatticeModel
from .lattices import Lattice
class HeisenbergModel(LatticeModel):
r"""The Heisenberg model.
This class implements the following Ha... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/hamiltonians/heisenberg_model.py | 0.953546 | 0.713943 | heisenberg_model.py | pypi |
from __future__ import annotations
import qiskit_nature # pylint: disable=unused-import
from qiskit_nature.second_q.operators import VibrationalIntegrals, VibrationalOp
from .hamiltonian import Hamiltonian
class VibrationalEnergy(Hamiltonian):
r"""The vibrational energy Hamiltonian.
This class implements ... | /qiskit-nature-0.6.2.tar.gz/qiskit-nature-0.6.2/qiskit_nature/second_q/hamiltonians/vibrational_energy.py | 0.944035 | 0.798462 | vibrational_energy.py | pypi |
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