repo stringclasses 900
values | file stringclasses 754
values | content stringlengths 4 215k |
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https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.mappers import ParityMapper
from qiskit_nature.second_q.properties import ParticleNumber
from qiskit_nature.second_q.transformers import ActiveSpaceTransformer
bond_distance = 2.5 # in... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
print(problem)
from qiskit_nature.second_q.problems import ElectronicBasis
driver.run_pyscf()
problem = driver.to_problem(basis=ElectronicBasis.MO, include_dipole=True)
print(problem.basis)
ao_problem ... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.problems import BaseProblem
dummy_hamiltonian = None
base_problem = BaseProblem(dummy_hamiltonian)
print(base_problem.properties)
from qiskit_nature.second_q.properties import AngularMomentum
print("AngularMomentum is in problem.properties:", AngularMomentum in base_problem.prop... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from math import pi
import numpy as np
import rustworkx as rx
from qiskit_nature.second_q.hamiltonians.lattices import (
BoundaryCondition,
HyperCubicLattice,
Lattice,
LatticeDrawStyle,
LineLattice,
SquareLattice,
TriangularLattice,
)
from qiskit_nature.second_q.hamiltonians im... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
from qiskit_nature.second_q.hamiltonians import QuadraticHamiltonian
# create Hamiltonian
hermitian_part = np.array(
[
[1.0, 2.0, 0.0, 0.0],
[2.0, 1.0, 2.0, 0.0],
[0.0, 2.0, 1.0, 2.0],
[0.0, 0.0, 2.0, 1.0],
]
)
antisymmetric_part = np.array(
[... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
import matplotlib.pyplot as plt
from IPython.display import display, clear_output
from qiskit.primitives import Estimator
from qiskit.algorithms.minimum_eigensolvers import VQE
from qiskit.algorithms.observables_evaluator import estimate_observables
from qiskit.algorithms.optimizers import COBY... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.mappers.second_quantization import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(padding=2)
from qiski... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spin_orbitals = 10
from qiskit_nature.second_q.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spatial_orbitals = 5
from qiskit_nature.circuit.library import UCC, UVCC
ucc = UCC(qubit_converter=None, num_particles=None... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers import Molecule
from qiskit_nature.drivers.second_quantization import (
ElectronicStructureDriverType,
ElectronicStructureMoleculeDriver,
PySCFDriver,
)
from qiskit_nature.problems.second_quantization import ElectronicStructureProblem
from qiskit_nature.transformers.second_... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers.second_quantization import GaussianForcesDriver
from qiskit_nature.problems.second_quantization import VibrationalStructureProblem
from qiskit_nature.settings import settings
settings.dict_aux_operators = True
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.problems.second_quantization.lattice.lattices import LineLattice
from qiskit_nature.problems.second_quantization.lattice.models import FermiHubbardModel
line = LineLattice(2)
fermi = FermiHubbardModel.uniform_parameters(line, 2.0, 4.0, 3.0)
print(fermi.second_q_ops()) # Note: the trailing `s`
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import qiskit.tools.jupyter
%qiskit_version_table
%qiskit_copyright |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
problem = driver.run()
print(problem)
hamiltonian = problem.hamiltoni... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import GaussianForcesDriver
# if you ran Gaussian elsewhere and already have the output file
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
# if you want to run the Gaussian job from Qiskit
# driver = GaussianForcesDriver(
# ['#p B... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.problems import ElectronicBasis
driver = PySCFDriver()
driver.run_pyscf()
ao_problem = driver.to_problem(basis=ElectronicBasis.AO)
print(ao_problem.basis)
ao_hamil = ao_problem.hamiltonian
print(ao_hamil.electronic_integrals... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
fermionic_op = problem.hamiltonian.second_q_op()
from qiskit_nature.second_q.mappers import JordanWignerMapper
mapper = JordanWignerMapper()
qubit_jw_op = mapper.map(fermionic_op)
print(qubit_jw_op)
fr... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.mappers import ParityMapper
from qiskit_nature.second_q.properties import ParticleNumber
from qiskit_nature.second_q.transformers import ActiveSpaceTransformer
bond_distance = 2.5 # in... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
print(problem)
from qiskit_nature.second_q.problems import ElectronicBasis
driver.run_pyscf()
problem = driver.to_problem(basis=ElectronicBasis.MO, include_dipole=True)
print(problem.basis)
ao_problem ... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.problems import BaseProblem
dummy_hamiltonian = None
base_problem = BaseProblem(dummy_hamiltonian)
print(base_problem.properties)
from qiskit_nature.second_q.properties import AngularMomentum
print("AngularMomentum is in problem.properties:", AngularMomentum in base_problem.prop... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from math import pi
import numpy as np
import rustworkx as rx
from qiskit_nature.second_q.hamiltonians.lattices import (
BoundaryCondition,
HyperCubicLattice,
Lattice,
LatticeDrawStyle,
LineLattice,
SquareLattice,
TriangularLattice,
)
from qiskit_nature.second_q.hamiltonians im... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
from qiskit_nature.second_q.hamiltonians import QuadraticHamiltonian
# create Hamiltonian
hermitian_part = np.array(
[
[1.0, 2.0, 0.0, 0.0],
[2.0, 1.0, 2.0, 0.0],
[0.0, 2.0, 1.0, 2.0],
[0.0, 0.0, 2.0, 1.0],
]
)
antisymmetric_part = np.array(
[... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
import matplotlib.pyplot as plt
from IPython.display import display, clear_output
from qiskit.primitives import Estimator
from qiskit.algorithms.minimum_eigensolvers import VQE
from qiskit.algorithms.observables_evaluator import estimate_observables
from qiskit.algorithms.optimizers import COBY... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.mappers.second_quantization import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(padding=2)
from qiski... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spin_orbitals = 10
from qiskit_nature.second_q.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spatial_orbitals = 5
from qiskit_nature.circuit.library import UCC, UVCC
ucc = UCC(qubit_converter=None, num_particles=None... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers import Molecule
from qiskit_nature.drivers.second_quantization import (
ElectronicStructureDriverType,
ElectronicStructureMoleculeDriver,
PySCFDriver,
)
from qiskit_nature.problems.second_quantization import ElectronicStructureProblem
from qiskit_nature.transformers.second_... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers.second_quantization import GaussianForcesDriver
from qiskit_nature.problems.second_quantization import VibrationalStructureProblem
from qiskit_nature.settings import settings
settings.dict_aux_operators = True
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.problems.second_quantization.lattice.lattices import LineLattice
from qiskit_nature.problems.second_quantization.lattice.models import FermiHubbardModel
line = LineLattice(2)
fermi = FermiHubbardModel.uniform_parameters(line, 2.0, 4.0, 3.0)
print(fermi.second_q_ops()) # Note: the trailing `s`
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import qiskit.tools.jupyter
%qiskit_version_table
%qiskit_copyright |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
problem = driver.run()
print(problem)
hamiltonian = problem.hamiltoni... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import GaussianForcesDriver
# if you ran Gaussian elsewhere and already have the output file
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
# if you want to run the Gaussian job from Qiskit
# driver = GaussianForcesDriver(
# ['#p B... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.problems import ElectronicBasis
driver = PySCFDriver()
driver.run_pyscf()
ao_problem = driver.to_problem(basis=ElectronicBasis.AO)
print(ao_problem.basis)
ao_hamil = ao_problem.hamiltonian
print(ao_hamil.electronic_integrals... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
fermionic_op = problem.hamiltonian.second_q_op()
from qiskit_nature.second_q.mappers import JordanWignerMapper
mapper = JordanWignerMapper()
qubit_jw_op = mapper.map(fermionic_op)
print(qubit_jw_op)
fr... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.mappers import ParityMapper
from qiskit_nature.second_q.properties import ParticleNumber
from qiskit_nature.second_q.transformers import ActiveSpaceTransformer
bond_distance = 2.5 # in... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
print(problem)
from qiskit_nature.second_q.problems import ElectronicBasis
driver.run_pyscf()
problem = driver.to_problem(basis=ElectronicBasis.MO, include_dipole=True)
print(problem.basis)
ao_problem ... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.problems import BaseProblem
dummy_hamiltonian = None
base_problem = BaseProblem(dummy_hamiltonian)
print(base_problem.properties)
from qiskit_nature.second_q.properties import AngularMomentum
print("AngularMomentum is in problem.properties:", AngularMomentum in base_problem.prop... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from math import pi
import numpy as np
import rustworkx as rx
from qiskit_nature.second_q.hamiltonians.lattices import (
BoundaryCondition,
HyperCubicLattice,
Lattice,
LatticeDrawStyle,
LineLattice,
SquareLattice,
TriangularLattice,
)
from qiskit_nature.second_q.hamiltonians im... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
from qiskit_nature.second_q.hamiltonians import QuadraticHamiltonian
# create Hamiltonian
hermitian_part = np.array(
[
[1.0, 2.0, 0.0, 0.0],
[2.0, 1.0, 2.0, 0.0],
[0.0, 2.0, 1.0, 2.0],
[0.0, 0.0, 2.0, 1.0],
]
)
antisymmetric_part = np.array(
[... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
import matplotlib.pyplot as plt
from IPython.display import display, clear_output
from qiskit.primitives import Estimator
from qiskit.algorithms.minimum_eigensolvers import VQE
from qiskit.algorithms.observables_evaluator import estimate_observables
from qiskit.algorithms.optimizers import COBY... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.mappers.second_quantization import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(padding=2)
from qiski... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spin_orbitals = 10
from qiskit_nature.second_q.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spatial_orbitals = 5
from qiskit_nature.circuit.library import UCC, UVCC
ucc = UCC(qubit_converter=None, num_particles=None... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers import Molecule
from qiskit_nature.drivers.second_quantization import (
ElectronicStructureDriverType,
ElectronicStructureMoleculeDriver,
PySCFDriver,
)
from qiskit_nature.problems.second_quantization import ElectronicStructureProblem
from qiskit_nature.transformers.second_... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers.second_quantization import GaussianForcesDriver
from qiskit_nature.problems.second_quantization import VibrationalStructureProblem
from qiskit_nature.settings import settings
settings.dict_aux_operators = True
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.problems.second_quantization.lattice.lattices import LineLattice
from qiskit_nature.problems.second_quantization.lattice.models import FermiHubbardModel
line = LineLattice(2)
fermi = FermiHubbardModel.uniform_parameters(line, 2.0, 4.0, 3.0)
print(fermi.second_q_ops()) # Note: the trailing `s`
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import qiskit.tools.jupyter
%qiskit_version_table
%qiskit_copyright |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
problem = driver.run()
print(problem)
hamiltonian = problem.hamiltoni... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import GaussianForcesDriver
# if you ran Gaussian elsewhere and already have the output file
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
# if you want to run the Gaussian job from Qiskit
# driver = GaussianForcesDriver(
# ['#p B... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.problems import ElectronicBasis
driver = PySCFDriver()
driver.run_pyscf()
ao_problem = driver.to_problem(basis=ElectronicBasis.AO)
print(ao_problem.basis)
ao_hamil = ao_problem.hamiltonian
print(ao_hamil.electronic_integrals... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
fermionic_op = problem.hamiltonian.second_q_op()
from qiskit_nature.second_q.mappers import JordanWignerMapper
mapper = JordanWignerMapper()
qubit_jw_op = mapper.map(fermionic_op)
print(qubit_jw_op)
fr... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.mappers import ParityMapper
from qiskit_nature.second_q.properties import ParticleNumber
from qiskit_nature.second_q.transformers import ActiveSpaceTransformer
bond_distance = 2.5 # in... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
print(problem)
from qiskit_nature.second_q.problems import ElectronicBasis
driver.run_pyscf()
problem = driver.to_problem(basis=ElectronicBasis.MO, include_dipole=True)
print(problem.basis)
ao_problem ... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.problems import BaseProblem
dummy_hamiltonian = None
base_problem = BaseProblem(dummy_hamiltonian)
print(base_problem.properties)
from qiskit_nature.second_q.properties import AngularMomentum
print("AngularMomentum is in problem.properties:", AngularMomentum in base_problem.prop... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from math import pi
import numpy as np
import rustworkx as rx
from qiskit_nature.second_q.hamiltonians.lattices import (
BoundaryCondition,
HyperCubicLattice,
Lattice,
LatticeDrawStyle,
LineLattice,
SquareLattice,
TriangularLattice,
)
from qiskit_nature.second_q.hamiltonians im... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
from qiskit_nature.second_q.hamiltonians import QuadraticHamiltonian
# create Hamiltonian
hermitian_part = np.array(
[
[1.0, 2.0, 0.0, 0.0],
[2.0, 1.0, 2.0, 0.0],
[0.0, 2.0, 1.0, 2.0],
[0.0, 0.0, 2.0, 1.0],
]
)
antisymmetric_part = np.array(
[... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
import matplotlib.pyplot as plt
from IPython.display import display, clear_output
from qiskit.primitives import Estimator
from qiskit.algorithms.minimum_eigensolvers import VQE
from qiskit.algorithms.observables_evaluator import estimate_observables
from qiskit.algorithms.optimizers import COBY... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.mappers.second_quantization import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(padding=2)
from qiski... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spin_orbitals = 10
from qiskit_nature.second_q.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spatial_orbitals = 5
from qiskit_nature.circuit.library import UCC, UVCC
ucc = UCC(qubit_converter=None, num_particles=None... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers import Molecule
from qiskit_nature.drivers.second_quantization import (
ElectronicStructureDriverType,
ElectronicStructureMoleculeDriver,
PySCFDriver,
)
from qiskit_nature.problems.second_quantization import ElectronicStructureProblem
from qiskit_nature.transformers.second_... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers.second_quantization import GaussianForcesDriver
from qiskit_nature.problems.second_quantization import VibrationalStructureProblem
from qiskit_nature.settings import settings
settings.dict_aux_operators = True
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.problems.second_quantization.lattice.lattices import LineLattice
from qiskit_nature.problems.second_quantization.lattice.models import FermiHubbardModel
line = LineLattice(2)
fermi = FermiHubbardModel.uniform_parameters(line, 2.0, 4.0, 3.0)
print(fermi.second_q_ops()) # Note: the trailing `s`
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import qiskit.tools.jupyter
%qiskit_version_table
%qiskit_copyright |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
problem = driver.run()
print(problem)
hamiltonian = problem.hamiltoni... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import GaussianForcesDriver
# if you ran Gaussian elsewhere and already have the output file
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
# if you want to run the Gaussian job from Qiskit
# driver = GaussianForcesDriver(
# ['#p B... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.problems import ElectronicBasis
driver = PySCFDriver()
driver.run_pyscf()
ao_problem = driver.to_problem(basis=ElectronicBasis.AO)
print(ao_problem.basis)
ao_hamil = ao_problem.hamiltonian
print(ao_hamil.electronic_integrals... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
fermionic_op = problem.hamiltonian.second_q_op()
from qiskit_nature.second_q.mappers import JordanWignerMapper
mapper = JordanWignerMapper()
qubit_jw_op = mapper.map(fermionic_op)
print(qubit_jw_op)
fr... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.mappers import ParityMapper
from qiskit_nature.second_q.properties import ParticleNumber
from qiskit_nature.second_q.transformers import ActiveSpaceTransformer
bond_distance = 2.5 # in... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
print(problem)
from qiskit_nature.second_q.problems import ElectronicBasis
driver.run_pyscf()
problem = driver.to_problem(basis=ElectronicBasis.MO, include_dipole=True)
print(problem.basis)
ao_problem ... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.problems import BaseProblem
dummy_hamiltonian = None
base_problem = BaseProblem(dummy_hamiltonian)
print(base_problem.properties)
from qiskit_nature.second_q.properties import AngularMomentum
print("AngularMomentum is in problem.properties:", AngularMomentum in base_problem.prop... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from math import pi
import numpy as np
import rustworkx as rx
from qiskit_nature.second_q.hamiltonians.lattices import (
BoundaryCondition,
HyperCubicLattice,
Lattice,
LatticeDrawStyle,
LineLattice,
SquareLattice,
TriangularLattice,
)
from qiskit_nature.second_q.hamiltonians im... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
from qiskit_nature.second_q.hamiltonians import QuadraticHamiltonian
# create Hamiltonian
hermitian_part = np.array(
[
[1.0, 2.0, 0.0, 0.0],
[2.0, 1.0, 2.0, 0.0],
[0.0, 2.0, 1.0, 2.0],
[0.0, 0.0, 2.0, 1.0],
]
)
antisymmetric_part = np.array(
[... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
import matplotlib.pyplot as plt
from IPython.display import display, clear_output
from qiskit.primitives import Estimator
from qiskit.algorithms.minimum_eigensolvers import VQE
from qiskit.algorithms.observables_evaluator import estimate_observables
from qiskit.algorithms.optimizers import COBY... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.mappers.second_quantization import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(padding=2)
from qiski... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spin_orbitals = 10
from qiskit_nature.second_q.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spatial_orbitals = 5
from qiskit_nature.circuit.library import UCC, UVCC
ucc = UCC(qubit_converter=None, num_particles=None... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers import Molecule
from qiskit_nature.drivers.second_quantization import (
ElectronicStructureDriverType,
ElectronicStructureMoleculeDriver,
PySCFDriver,
)
from qiskit_nature.problems.second_quantization import ElectronicStructureProblem
from qiskit_nature.transformers.second_... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers.second_quantization import GaussianForcesDriver
from qiskit_nature.problems.second_quantization import VibrationalStructureProblem
from qiskit_nature.settings import settings
settings.dict_aux_operators = True
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.problems.second_quantization.lattice.lattices import LineLattice
from qiskit_nature.problems.second_quantization.lattice.models import FermiHubbardModel
line = LineLattice(2)
fermi = FermiHubbardModel.uniform_parameters(line, 2.0, 4.0, 3.0)
print(fermi.second_q_ops()) # Note: the trailing `s`
... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import qiskit.tools.jupyter
%qiskit_version_table
%qiskit_copyright |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
problem = driver.run()
print(problem)
hamiltonian = problem.hamiltoni... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import GaussianForcesDriver
# if you ran Gaussian elsewhere and already have the output file
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
# if you want to run the Gaussian job from Qiskit
# driver = GaussianForcesDriver(
# ['#p B... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver(
atom="H 0 0 0; H 0 0 0.735",
basis="sto3g",
charge=0,
spin=0,
unit=DistanceUnit.ANGSTROM,
)
es_problem = driver.run()
from qiskit_nature.second_q.mappers import J... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.problems import ElectronicBasis
driver = PySCFDriver()
driver.run_pyscf()
ao_problem = driver.to_problem(basis=ElectronicBasis.AO)
print(ao_problem.basis)
ao_hamil = ao_problem.hamiltonian
print(ao_hamil.electronic_integrals... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
fermionic_op = problem.hamiltonian.second_q_op()
from qiskit_nature.second_q.mappers import JordanWignerMapper
mapper = JordanWignerMapper()
qubit_jw_op = mapper.map(fermionic_op)
print(qubit_jw_op)
fr... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver
from qiskit_nature.second_q.mappers import ParityMapper
from qiskit_nature.second_q.properties import ParticleNumber
from qiskit_nature.second_q.transformers import ActiveSpaceTransformer
bond_distance = 2.5 # in... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.drivers import PySCFDriver
driver = PySCFDriver()
problem = driver.run()
print(problem)
from qiskit_nature.second_q.problems import ElectronicBasis
driver.run_pyscf()
problem = driver.to_problem(basis=ElectronicBasis.MO, include_dipole=True)
print(problem.basis)
ao_problem ... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.second_q.problems import BaseProblem
dummy_hamiltonian = None
base_problem = BaseProblem(dummy_hamiltonian)
print(base_problem.properties)
from qiskit_nature.second_q.properties import AngularMomentum
print("AngularMomentum is in problem.properties:", AngularMomentum in base_problem.prop... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from math import pi
import numpy as np
import rustworkx as rx
from qiskit_nature.second_q.hamiltonians.lattices import (
BoundaryCondition,
HyperCubicLattice,
Lattice,
LatticeDrawStyle,
LineLattice,
SquareLattice,
TriangularLattice,
)
from qiskit_nature.second_q.hamiltonians im... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
from qiskit_nature.second_q.hamiltonians import QuadraticHamiltonian
# create Hamiltonian
hermitian_part = np.array(
[
[1.0, 2.0, 0.0, 0.0],
[2.0, 1.0, 2.0, 0.0],
[0.0, 2.0, 1.0, 2.0],
[0.0, 0.0, 2.0, 1.0],
]
)
antisymmetric_part = np.array(
[... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | import numpy as np
import matplotlib.pyplot as plt
from IPython.display import display, clear_output
from qiskit.primitives import Estimator
from qiskit.algorithms.minimum_eigensolvers import VQE
from qiskit.algorithms.observables_evaluator import estimate_observables
from qiskit.algorithms.optimizers import COBY... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.mappers.second_quantization import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(2)
from qiskit_nature.second_q.mappers import LogarithmicMapper
mapper = LogarithmicMapper(padding=2)
from qiski... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spin_orbitals = 10
from qiskit_nature.second_q.circuit.library import UCCSD
ansatz = UCCSD()
ansatz.num_spatial_orbitals = 5
from qiskit_nature.circuit.library import UCC, UVCC
ucc = UCC(qubit_converter=None, num_particles=None... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers import Molecule
from qiskit_nature.drivers.second_quantization import (
ElectronicStructureDriverType,
ElectronicStructureMoleculeDriver,
PySCFDriver,
)
from qiskit_nature.problems.second_quantization import ElectronicStructureProblem
from qiskit_nature.transformers.second_... |
https://github.com/qiskit-community/qiskit-translations-staging | qiskit-community | from qiskit_nature.drivers.second_quantization import GaussianForcesDriver
from qiskit_nature.problems.second_quantization import VibrationalStructureProblem
from qiskit_nature.settings import settings
settings.dict_aux_operators = True
driver = GaussianForcesDriver(logfile="aux_files/CO2_freq_B3LYP_631g.log")
... |
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