add final_orbital_rotation

qiskit-community · Nov 7, 2024 · 0db2929 · 0db2929
1 parent e997491
commit 0db2929
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Showing 4 changed files with 20 additions and 5 deletions.
diff --git a/docs/how-to-guides/lucj_mps.ipynb b/docs/how-to-guides/lucj_mps.ipynb
diff --git a/python/ffsim/tenpy/circuits/lucj_circuit.py b/python/ffsim/tenpy/circuits/lucj_circuit.py
@@ -60,5 +60,9 @@ def lucj_circuit_as_mps(
         apply_orbital_rotation(
             ucj_op.orbital_rotations[i], psi, eng, chi_list, norm_tol
         )
+        if ucj_op.final_orbital_rotation is not None:
+            apply_orbital_rotation(
+                ucj_op.final_orbital_rotation, psi, eng, chi_list, norm_tol
+            )
 
     return psi, chi_list
diff --git a/python/ffsim/tenpy/hamiltonians/molecular_hamiltonian.py b/python/ffsim/tenpy/hamiltonians/molecular_hamiltonian.py
@@ -118,7 +118,7 @@ def from_molecular_hamiltonian(
                     Rounding may reduce the MPO bond dimension.
 
         Returns:
-            The molecular Hamiltonian as a TeNPy MPOModel.
+            The molecular Hamiltonian as a `TeNPy MPOModel <https://tenpy.readthedocs.io/en/stable/reference/tenpy.models.model.MPOModel.html#tenpy.models.model.MPOModel>`__.
         """
 
         if decimal_places:

diff --git a/tests/python/tenpy/lucj_circuit_test.py b/tests/python/tenpy/lucj_circuit_test.py
@@ -75,7 +75,7 @@ def test_lucj_circuit_as_mps(norb: int, nelec: tuple[int, int], connectivity: st
         interaction_pairs=_interaction_pairs_spin_balanced_(
             connectivity=connectivity, norb=norb
         ),
-        with_final_orbital_rotation=False,
+        with_final_orbital_rotation=True,
     )
     params = rng.uniform(-10, 10, size=n_params)
     lucj_op = ffsim.UCJOpSpinBalanced.from_parameters(
@@ -85,7 +85,7 @@ def test_lucj_circuit_as_mps(norb: int, nelec: tuple[int, int], connectivity: st
         interaction_pairs=_interaction_pairs_spin_balanced_(
             connectivity=connectivity, norb=norb
         ),
-        with_final_orbital_rotation=False,
+        with_final_orbital_rotation=True,
     )
 
     # generate the corresponding LUCJ circuit