Merge branch 'main' into latticemodel

.pylintrc

@@ -72,7 +72,8 @@ disable=no-self-use,        # disabled as it is too verbose
     no-else-return,     # relax "elif" after a clause with a return
     docstring-first-line-empty, # relax docstring style
     import-outside-toplevel,
-    bad-continuation, bad-whitespace # differences of opinion with black
+    bad-continuation, bad-whitespace, # differences of opinion with black
+    consider-using-f-string,
 
 
 

qiskit_nature/properties/second_quantization/electronic/integrals/integral_property.py

@@ -132,9 +132,9 @@ def integral_operator(self, density: OneBodyElectronicIntegrals) -> OneBodyElect
     def second_q_ops(self) -> List[FermionicOp]:
         """Returns a list containing the Hamiltonian constructed by the stored electronic integrals."""
         ints = None
-        if ElectronicBasis.SO in self._electronic_integrals.keys():
+        if ElectronicBasis.SO in self._electronic_integrals:
             ints = self._electronic_integrals[ElectronicBasis.SO]
-        elif ElectronicBasis.MO in self._electronic_integrals.keys():
+        elif ElectronicBasis.MO in self._electronic_integrals:
             ints = self._electronic_integrals[ElectronicBasis.MO]
         return [sum(int.to_second_q_op() for int in ints.values()).reduce()]  # type: ignore
 

qiskit_nature/properties/second_quantization/vibrational/integrals/vibrational_integrals.py

@@ -156,7 +156,7 @@ def to_basis(self) -> np.ndarray:
                 # permutations (lower triangular indices) for the next step
                 index_list.append(zip(cycle([mode]), iter_1))
                 for m, n in iter_2:
-                    if (mode - 1, m, n, power, kinetic_term) in coeff_cache.keys():
+                    if (mode - 1, m, n, power, kinetic_term) in coeff_cache:
                         # value already in cache
                         continue
                     coeff_cache[(mode - 1, m, n, power, kinetic_term)] = self.basis.eval_integral(