tequila-basic 1.9.9__py3-none-any.whl → 1.9.10__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- tequila/__init__.py +29 -14
- tequila/apps/__init__.py +14 -5
- tequila/apps/_unary_state_prep_impl.py +145 -112
- tequila/apps/adapt/__init__.py +9 -1
- tequila/apps/adapt/adapt.py +154 -113
- tequila/apps/krylov/__init__.py +1 -1
- tequila/apps/krylov/krylov.py +23 -21
- tequila/apps/robustness/helpers.py +10 -6
- tequila/apps/robustness/interval.py +238 -156
- tequila/apps/unary_state_prep.py +29 -23
- tequila/autograd_imports.py +8 -5
- tequila/circuit/__init__.py +2 -1
- tequila/circuit/_gates_impl.py +135 -67
- tequila/circuit/circuit.py +163 -79
- tequila/circuit/compiler.py +114 -105
- tequila/circuit/gates.py +288 -120
- tequila/circuit/gradient.py +35 -23
- tequila/circuit/noise.py +83 -74
- tequila/circuit/postselection.py +120 -0
- tequila/circuit/pyzx.py +10 -6
- tequila/circuit/qasm.py +201 -83
- tequila/circuit/qpic.py +63 -61
- tequila/grouping/binary_rep.py +148 -146
- tequila/grouping/binary_utils.py +84 -75
- tequila/grouping/compile_groups.py +334 -230
- tequila/grouping/ev_utils.py +77 -41
- tequila/grouping/fermionic_functions.py +383 -308
- tequila/grouping/fermionic_methods.py +170 -123
- tequila/grouping/overlapping_methods.py +69 -52
- tequila/hamiltonian/paulis.py +12 -13
- tequila/hamiltonian/paulistring.py +1 -1
- tequila/hamiltonian/qubit_hamiltonian.py +45 -35
- tequila/ml/__init__.py +1 -0
- tequila/ml/interface_torch.py +19 -16
- tequila/ml/ml_api.py +11 -10
- tequila/ml/utils_ml.py +12 -11
- tequila/objective/__init__.py +8 -3
- tequila/objective/braket.py +55 -47
- tequila/objective/objective.py +87 -55
- tequila/objective/qtensor.py +36 -27
- tequila/optimizers/__init__.py +31 -23
- tequila/optimizers/_containers.py +11 -7
- tequila/optimizers/optimizer_base.py +111 -83
- tequila/optimizers/optimizer_gd.py +258 -231
- tequila/optimizers/optimizer_gpyopt.py +56 -42
- tequila/optimizers/optimizer_scipy.py +157 -112
- tequila/quantumchemistry/__init__.py +66 -38
- tequila/quantumchemistry/chemistry_tools.py +393 -209
- tequila/quantumchemistry/encodings.py +121 -13
- tequila/quantumchemistry/madness_interface.py +170 -96
- tequila/quantumchemistry/orbital_optimizer.py +86 -41
- tequila/quantumchemistry/psi4_interface.py +166 -97
- tequila/quantumchemistry/pyscf_interface.py +70 -23
- tequila/quantumchemistry/qc_base.py +866 -414
- tequila/simulators/__init__.py +0 -3
- tequila/simulators/simulator_api.py +247 -105
- tequila/simulators/simulator_aqt.py +102 -0
- tequila/simulators/simulator_base.py +147 -53
- tequila/simulators/simulator_cirq.py +58 -42
- tequila/simulators/simulator_cudaq.py +600 -0
- tequila/simulators/simulator_ddsim.py +390 -0
- tequila/simulators/simulator_mqp.py +30 -0
- tequila/simulators/simulator_pyquil.py +190 -171
- tequila/simulators/simulator_qibo.py +95 -87
- tequila/simulators/simulator_qiskit.py +119 -107
- tequila/simulators/simulator_qlm.py +52 -26
- tequila/simulators/simulator_qulacs.py +74 -52
- tequila/simulators/simulator_spex.py +95 -60
- tequila/simulators/simulator_symbolic.py +6 -5
- tequila/simulators/test_spex_simulator.py +8 -11
- tequila/tools/convenience.py +4 -4
- tequila/tools/qng.py +72 -64
- tequila/tools/random_generators.py +38 -34
- tequila/utils/bitstrings.py +7 -7
- tequila/utils/exceptions.py +19 -5
- tequila/utils/joined_transformation.py +8 -10
- tequila/utils/keymap.py +0 -5
- tequila/utils/misc.py +6 -4
- tequila/version.py +1 -1
- tequila/wavefunction/qubit_wavefunction.py +47 -28
- {tequila_basic-1.9.9.dist-info → tequila_basic-1.9.10.dist-info}/METADATA +13 -16
- tequila_basic-1.9.10.dist-info/RECORD +93 -0
- {tequila_basic-1.9.9.dist-info → tequila_basic-1.9.10.dist-info}/WHEEL +1 -1
- tequila_basic-1.9.9.dist-info/RECORD +0 -88
- {tequila_basic-1.9.9.dist-info → tequila_basic-1.9.10.dist-info}/licenses/LICENSE +0 -0
- {tequila_basic-1.9.9.dist-info → tequila_basic-1.9.10.dist-info}/top_level.txt +0 -0
tequila/utils/keymap.py
CHANGED
@@ -4,7 +4,6 @@ from tequila import BitNumbering, BitString, BitStringLSB
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class KeyMapABC:
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@property
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def n_qubits(self):
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return None
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@@ -18,7 +17,6 @@ class KeyMapABC:
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class KeyMapLSB2MSB(KeyMapABC):
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def __call__(self, input_state: BitStringLSB, initial_state: int = None) -> BitString:
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if isinstance(input_state, numbers.Integral):
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return BitString.from_int(integer=input_state)
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class KeyMapMSB2LSB(KeyMapABC):
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-
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@property
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def numbering(self) -> BitNumbering:
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return BitNumbering.LSB
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class KeyMapSubregisterToRegister(KeyMapABC):
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@property
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def n_qubits(self):
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return len(self.register)
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class KeyMapRegisterToSubregister(KeyMapSubregisterToRegister):
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def __call__(self, input_state: BitString, initial_state: BitString = None) -> BitString:
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"""
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Map from register to subregister
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tequila/utils/misc.py
CHANGED
@@ -7,20 +7,22 @@ def to_float(number) -> float:
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"""
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if hasattr(number, "imag"):
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if isclose(number.imag, 0.0, atol=1.
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if isclose(number.imag, 0.0, atol=1.0e-6):
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return float64(number.real)
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else:
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raise TypeError("imaginary part detected {number}".format(number=number))
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elif hasattr(number, "evalf"):
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tmp = complex64(number.evalf())
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if hasattr(tmp, "imag") and isclose(tmp.imag, 0.0, atol=1.
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if hasattr(tmp, "imag") and isclose(tmp.imag, 0.0, atol=1.0e-6):
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return float64(tmp.real)
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else:
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raise TypeError(
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"casting number {number} of type {type} fo float failed".format(number=number, type=type(number))
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"casting number {number} of type {type} fo float failed".format(number=number, type=type(number))
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)
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else:
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try:
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return float64(number)
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except TypeError:
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raise TypeError(
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"casting number {number} of type {type} fo float failed".format(number=number, type=type(number))
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"casting number {number} of type {type} fo float failed".format(number=number, type=type(number))
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)
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tequila/version.py
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@@ -1,2 +1,2 @@
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__version__ = "1.9.
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__version__ = "1.9.10"
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__author__ = "Tequila Developers "
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Does not enforce normalization.
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"""
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def __init__(
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def __init__(
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self, n_qubits: int, numbering: BitNumbering = BitNumbering.MSB, dense: bool = False, init_state: bool = True
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) -> None:
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"""
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Initialize a QubitWaveFunction with all amplitudes set to zero.
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self._numbering = numbering
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self._dense = dense
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if init_state:
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self._state = np.zeros(2
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self._state = np.zeros(2**self._n_qubits, dtype=complex) if dense else dict()
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else:
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self._state = None
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@classmethod
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def from_wavefunction(
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def from_wavefunction(
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cls, wfn: QubitWaveFunction, keymap: KeyMapABC = None, n_qubits: int = None, initial_state: BitString = None
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) -> QubitWaveFunction:
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"""
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Create a copy of a wavefunction.
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if wfn._dense and wfn._state.dtype == object:
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result = sympy.Integer(1) * result
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for index, coeff in wfn.raw_items():
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key = initialize_bitstring(
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key = initialize_bitstring(
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index, wfn._n_qubits, numbering_in=wfn._numbering, numbering_out=keymap.numbering
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)
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key = keymap(key, initial_state)
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result[key] += coeff
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return result
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return deepcopy(wfn)
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@classmethod
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def from_array(
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def from_array(
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cls, array: npt.NDArray[complex], numbering: BitNumbering = BitNumbering.MSB, copy: bool = True
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) -> QubitWaveFunction:
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"""
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Create a dense wavefunction from a Numpy array.
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return result
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@classmethod
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def from_basis_state(
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def from_basis_state(
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cls, n_qubits: int, basis_state: Union[int, BitString], numbering: BitNumbering = BitNumbering.MSB
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) -> QubitWaveFunction:
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"""
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Create a sparse wavefunction that is a basis state.
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:param numbering: Whether the first qubit is the most or least significant.
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:return: The created wavefunction.
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"""
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if 2
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raise ValueError(f"Number of qubits {n_qubits} insufficient for basis state {basis_state}")
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if isinstance(basis_state, BitString):
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basis_state =
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basis_state = (
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reverse_int_bits(basis_state.integer, basis_state.nbits)
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if numbering != basis_state.numbering
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else basis_state.integer
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)
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result = QubitWaveFunction(n_qubits, numbering)
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result[basis_state] = 1.0
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return result
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result[index] = coeff
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return result
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except ValueError:
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raise TequilaException(f
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raise TequilaException(f'Failed to initialize QubitWaveFunction from string:\n"{string}"\n')
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@classmethod
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def convert_from(cls, n_qubits: int, val: Union[QubitWaveFunction, int, str, numpy.ndarray]):
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if self._dense and self._numbering == out_numbering:
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return self._state.copy() if copy else self._state
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else:
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result = np.zeros(2
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result = np.zeros(2**self._n_qubits, dtype=complex)
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for k, v in self.raw_items():
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if self._numbering != out_numbering:
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k = reverse_int_bits(k, self._n_qubits)
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:param copy: Whether to copy the array or use it directly.
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If False, changes to the array or wavefunction will affect each other.
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"""
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if len(value) != 2
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raise ValueError(
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if len(value) != 2**self._n_qubits:
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raise ValueError(
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f"Wavefunction of {self._n_qubits} qubits must have {2**self._n_qubits} amplitudes, "
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f"received {len(value)}"
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)
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self._dense = True
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if copy:
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self._state = value.copy()
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def items(self) -> Generator[tuple[BitString, complex]]:
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"""Returns a generator of non-zero amplitudes with BitString indices."""
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return (
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return (
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(initialize_bitstring(k, self._n_qubits, self._numbering), v)
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for k, v in self.raw_items()
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if isinstance(v, sympy.Basic) or abs(v) > 1e-6
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)
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def keys(self) -> Generator[BitString]:
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"""Returns a generator of BitString indices of non-zero amplitudes."""
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raise TequilaException("Wavefunction equality is not well-defined. Consider using isclose.")
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def isclose(
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def isclose(
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self: QubitWaveFunction,
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other: QubitWaveFunction,
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rtol: float = 1e-5,
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atol: float = 1e-8,
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ignore_global_phase: bool = True,
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) -> bool:
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"""
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Check if two wavefunctions are close, up to a global phase.
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:param other: The other wavefunction.
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:param rtol: Relative tolerance.
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:param atol: Absolute tolerance.
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:param ignore_global_phase: Whether to ignore global phase differences.
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:return: Whether the wavefunctions are close.
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"""
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inner = self.inner(other)
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other_norm = other.norm()
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cosine_similarity = inner / (self_norm * other_norm)
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if ignore_global_phase:
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cosine_similarity = abs(cosine_similarity)
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return np.isclose(cosine_similarity, 1.0, rtol, atol) and np.isclose(self_norm, other_norm, rtol, atol)
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def __add__(self, other: QubitWaveFunction) -> QubitWaveFunction:
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if self._dense and other._dense and self._numbering == other._numbering:
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def compute_expectationvalue(self, operator: QubitHamiltonian) -> numbers.Real:
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tmp = self.apply_qubitoperator(operator=operator)
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E = self.inner(other=tmp)
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if hasattr(E, "imag") and np.isclose(E.imag, 0.0, atol=1.
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if hasattr(E, "imag") and np.isclose(E.imag, 0.0, atol=1.0e-6):
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return float(E.real)
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else:
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return E
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Metadata-Version: 2.4
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Name: tequila-basic
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Version: 1.9.
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Version: 1.9.10
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Summary: A High-Level Abstraction Framework for Quantum Algorithms
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Home-page: https://github.com/tequilahub/tequila
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Author: Tequila Developers
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@@ -36,7 +36,8 @@ Tequila can execute the underlying quantum expectation values on state of the ar
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# Getting Started
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Get started with our collection of
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- *[Tutorials](https://tequilahub.github.io/tequila-tutorials/)*
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- *[Tutorials](https://tequilahub.github.io/tequila-tutorials/)*
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- *[Documentation](https://tequilahub.github.io/tequila-tutorials/docs/sphinx/)*
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Further sources:
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- [overview article](https://arxiv.org/abs/2011.03057)
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@@ -44,8 +45,8 @@ Further sources:
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- [talks and slides](https://kottmanj.github.io/talks_and_material/)
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# Installation
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Recommended Python version is 3.
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Tequila supports linux, osx and windows. However, not all optional dependencies are supported on windows.
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Recommended Python version is 3.10 (3.11).
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Tequila supports linux, osx and windows. However, not all optional dependencies (especially chemistry) are supported on windows.
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## Install from PyPi
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Do you want to create your own methods? Check out the [tutorials]([https://github.com/tequilahub/tequila-tutorials](https://tequilahub.github.io/tequila-tutorials/))!
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# Some Research projects using Tequila
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see [here](https://tequilahub.github.io/tequila-tutorials/docs/sphinx/)
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# How to contribute
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4. Introduce changes to the code.
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5. Format your code using [Ruff](https://github.com/astral-sh/ruff).
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You can install Ruff with `pip install ruff`, then run the formatter with `ruff format` and the linter with `ruff check` (most IDEs also provide a way of integrating Ruff and doing this automatically).
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6. Commit them with git and push the changes to *your* github account
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7. Log into github and create a pull request to the main [github repository](https://github.com/aspuru-guzik-group/tequila). The pull-request should be directed to the `devel` branch (but we can also change that afterwards).
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If you plan to introduce major changes to the base library it can be beneficial to contact us first.
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Tequila runs on Mac OSX.
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You might get in trouble with installing qulacs since it currently does not work with Apple's clang compiler.
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You need to install latest GNU compile (at least gcc-7 and g++7) and set them as default before installing qulacs over pip.
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|
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tequila/__init__.py,sha256=WHsKYtBrtI7cikfH4aiDfbXWjmx1LUbGemdzieJ8YKA,2016
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tequila/grouping/compile_groups.py,sha256=J6TCZedmzojgiHA7IDpUUcjpDnSeHHnAo61AU77nD98,67673
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tequila/grouping/fermionic_methods.py,sha256=Efn7x4rUek8VlalUax81LjMD5_f98DzK0q_ICnx-DMk,28309
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tequila/grouping/overlapping_methods.py,sha256=6kInHEssAWDFmC8gKHTDWJOwHERB5pUqXud98cUX2s8,11114
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tequila/hamiltonian/__init__.py,sha256=X7edib1ejUf01hb8Jk5IHYnAP51WoN0UAhg4yLRicFI,119
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tequila/hamiltonian/paulis.py,sha256=jKwLWFyy1ch7J4x44AH6nUj9SwKowtWARJkDD0C5Kbw,8989
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tequila/hamiltonian/paulistring.py,sha256=5BSEZn5T8FTkEgAyXyTb881AliwIrL_8HTfSd0fhObU,351
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tequila/hamiltonian/qubit_hamiltonian.py,sha256=JzoQDnUFFymziNEMBkkAJWxricqfvyunPc6GbaL8Xfw,21563
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tequila/ml/utils_ml.py,sha256=6rRo7SsPptlWntqvzTYObsDG1cjXVpME5XSj1g0RtAI,5528
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tequila/quantumchemistry/pyscf_interface.py,sha256=Io-CmH_IY-EQVh_eUl1xRH_HPnnSvdzTY9cH-_FKe1U,7874
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tequila_basic-1.9.10.dist-info/licenses/LICENSE,sha256=oG1FtUav5_xrym9ByiG5emJDQRcbnAfTB08fRV9TCiE,1114
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tequila_basic-1.9.10.dist-info/METADATA,sha256=Cj3bfA7yMUfviOxCIvhdAX8OtEb-MpaQzUeJx9M-CKQ,19417
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tequila/apps/adapt/adapt.py,sha256=Wf2k7DWJaos_7se9YU6zw6ZZorcNvwCY3HQbo-ha884,19529
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