Add module level description.

recirq/qcqmc/afqmc_circuits.py

@@ -11,7 +11,6 @@
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.
-
 """Trial wavefunction circuit ansatz primitives."""
 
 import itertools

recirq/qcqmc/afqmc_generators.py

@@ -11,6 +11,16 @@
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.
+r"""Module for building generators for various fermionic wavefunction ansatzes for AFQMC.
+
+Given a unitary defined in terms of fermionic modes of the form
+$$
+U = e^{\alpha a_p^\dagger a_q}
+$$
+the generator of this unitary (gate) is $a_p^\dagger a_q$ where $a_p^{(\dagger)}
+$ is the fermionic annihilation (creation) operator for a fermion in spin
+orbital $p$.
+"""
 
 from typing import List, Sequence, Tuple
 

recirq/qcqmc/fermion_mode.py

@@ -11,6 +11,7 @@
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.
+"""Specification of a fermion mode."""
 import attrs
 
 
@@ -21,6 +22,7 @@ class FermionicMode:
     Args:
         orb_ind: The spatial orbital index.
         spin: The spin state of the fermion mode (up or down (alpha or beta)).
+            Must be either 'a' or 'b'.
     """
 
     orb_ind: int

recirq/qcqmc/layer_spec.py

@@ -11,6 +11,7 @@
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.
+"""Specification of hardware efficient layers and utility functions for indexing."""
 
 from typing import Iterator, List, Tuple
 

recirq/qcqmc/optimize_wf.py

@@ -11,6 +11,7 @@
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.
+"""Functions for the variational optimizion of a trial wavefunction."""
 
 import copy
 import itertools
@@ -26,16 +27,8 @@
 import scipy.optimize
 import scipy.sparse
 
-from recirq.qcqmc import (
-    afqmc_circuits,
-    afqmc_generators,
-    converters,
-    data,
-    fermion_mode,
-    hamiltonian,
-    layer_spec,
-    trial_wf,
-)
+from recirq.qcqmc import (afqmc_circuits, afqmc_generators, converters, data,
+                          fermion_mode, hamiltonian, layer_spec, trial_wf)
 
 
 def get_and_check_energy(

recirq/qcqmc/qubit_maps.py

@@ -11,6 +11,7 @@
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.
+"""Various mappings between fermions and qubits."""
 from typing import Dict, Tuple
 
 import cirq

recirq/qcqmc/trial_wf.py

@@ -11,6 +11,7 @@
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.
+"""Specification of a trial wavefunction."""
 
 import abc
 from typing import Dict, Iterable, Optional, Sequence, Tuple