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docker/README.md

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@@ -48,7 +48,7 @@ docker run -it openfermion_docker
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With this command the terminal enters a new environment which emulates Ubuntu with
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OpenFermion and accessories installed. To transfer files from somewhere on the disk to the Docker
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container, first run `docker ps` in a seperate terminal from the one running
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container, first run `docker ps` in a separate terminal from the one running
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Docker. This returns a list of running containers, e.g.:
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```

docs/fqe/tutorials/diagonal_coulomb_evolution.ipynb

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"sz = 0\n",
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"fqe_wfn = fqe.Wavefunction([[n_elec, sz, norbs]])\n",
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"fqe_wfn.set_wfn(strategy='random')\n",
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"inital_coeffs = fqe_wfn.get_coeff((n_elec, sz)).copy()\n",
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"initial_coeffs = fqe_wfn.get_coeff((n_elec, sz)).copy()\n",
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"print(\"Random initial wavefunction\")\n",
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"fqe_wfn.print_wfn()"
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]
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"source": [
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"fqe_wfn = fqe.Wavefunction([[n_elec, sz, norbs]])\n",
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"fqe_wfn.set_wfn(strategy='from_data',\n",
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" raw_data={(n_elec, sz): inital_coeffs})\n",
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" raw_data={(n_elec, sz): initial_coeffs})\n",
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"for term, coeff in diagonal_coulomb.terms.items():\n",
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" op = of.FermionOperator(term, coefficient=coeff)\n",
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" fqe_wfn = fqe_wfn.time_evolve(1, op)\n",

docs/fqe/tutorials/hamiltonian_time_evolution_and_expectation_estimation.ipynb

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"source": [
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"## Application of one- and two-body fermionic gates\n",
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"\n",
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"The API for time propogation can be invoked through the fqe namespace or the wavefunction object"
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"The API for time propagation can be invoked through the fqe namespace or the wavefunction object"
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]
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},
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{

docs/tutorials/intro_to_openfermion.ipynb

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"id": "0aa06eb285b9"
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},
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"source": [
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"The geometry data needed to generate MolecularData can also be retreived from the PubChem online database by inputting the molecule's name."
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"The geometry data needed to generate MolecularData can also be retrieved from the PubChem online database by inputting the molecule's name."
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]
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},
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{

src/openfermion/circuits/primitives/ffft.py

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@@ -187,7 +187,7 @@ def fourier_transform_matrix(size):
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qubits: Sequence of qubits that the FFFT circuit will be generated for.
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This sequence represents a sequence of consecutive creation
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operators under big-endian encoded JWT representation. The indices
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assignment is significant since it it used to define the FFFT
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assignment is significant since it used to define the FFFT
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operation itself. The input sequence is assumed to have nearest
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neighbourhood connectivity.
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src/openfermion/contrib/representability/_namedtensor.py

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@@ -59,7 +59,7 @@ def __getitem__(self, indices):
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def __call__(self, *indices):
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"""
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Index into the the data by passing through the basis first
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Index into the data by passing through the basis first
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:param indices: indices for the rev_bas
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:return: element of the data

src/openfermion/linalg/givens_rotations.py

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@@ -112,7 +112,7 @@ def givens_rotate(operator, givens_rotation, i, j, which='row'):
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def double_givens_rotate(operator, givens_rotation, i, j, which='row'):
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"""Apply a double Givens rotation.
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Applies a Givens rotation to coordinates i and j and the the conjugate
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Applies a Givens rotation to coordinates i and j and the conjugate
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Givens rotation to coordinates n + i and n + j, where
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n = dim(operator) / 2. dim(operator) must be even.
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"""

src/openfermion/linalg/linear_qubit_operator.py

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def apply_operator(args):
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"""Helper funtion to apply opeartor to a vector."""
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"""Helper function to apply operator to a vector."""
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operator, vec = args
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return operator * vec
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src/openfermion/ops/representations/doci_hamiltonian.py

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)
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)
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but this method attemps to create integrals that conform to the
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but this method attempts to create integrals that conform to the
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same symmetries as a physical electronic structure Hamiltonian would,
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with inevitable loss of information due to the ambiguity above.
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src/openfermion/ops/representations/polynomial_tensor.py

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@@ -28,7 +28,7 @@ class PolynomialTensorError(Exception):
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def general_basis_change(general_tensor, rotation_matrix, key):
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r"""Change the basis of an general interaction tensor.
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r"""Change the basis of a general interaction tensor.
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M'^{p_1p_2...p_n} = R^{p_1}_{a_1} R^{p_2}_{a_2} ...
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R^{p_n}_{a_n} M^{a_1a_2...a_n} R^{p_n}_{a_n}^T ...
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n_qubits x n_qubits matrix. Higher order terms would be described with
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tensors of higher dimension. Note that each tensor must have an even
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number of dimensions, since parity is conserved.
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Much of the functionality of this class is redudant with FermionOperator
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Much of the functionality of this class is redundant with FermionOperator
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but enables much more efficient numerical computations in many cases,
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such as basis rotations.
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