rename variables

qiskit-community · Sep 6, 2023 · e595ca8 · e595ca8
1 parent f2b3ae4
commit e595ca8
Show file tree

Hide file tree

Showing 2 changed files with 10 additions and 8 deletions.
diff --git a/python/ffsim/variational/lucj.py b/python/ffsim/variational/lucj.py
@@ -237,18 +237,20 @@ def to_parameters(
 
     @staticmethod
     def from_t_amplitudes(
-        t2: np.ndarray,
+        t2_amplitudes: np.ndarray,
         *,
+        t1_amplitudes: np.ndarray | None = None,
         n_reps: int | None = None,
-        t1: np.ndarray | None = None,
         tol: float = 1e-8,
     ) -> "UCJOperator":
         """Initialize the UCJ operator from t2 (and optionally t1) amplitudes."""
         # TODO maybe allow specifying alpha-alpha and alpha-beta indices
-        nocc, _, nvrt, _ = t2.shape
+        nocc, _, nvrt, _ = t2_amplitudes.shape
         norb = nocc + nvrt
 
-        diag_coulomb_mats, orbital_rotations = double_factorized_t2(t2, tol=tol)
+        diag_coulomb_mats, orbital_rotations = double_factorized_t2(
+            t2_amplitudes, tol=tol
+        )
         n_vecs, norb, _ = diag_coulomb_mats.shape
         expanded_diag_coulomb_mats = np.zeros((2 * n_vecs, norb, norb))
         expanded_orbital_rotations = np.zeros((2 * n_vecs, norb, norb), dtype=complex)
@@ -261,10 +263,10 @@ def from_t_amplitudes(
         diag_coulomb_mats_alpha_beta = expanded_diag_coulomb_mats.copy()
 
         final_orbital_rotation = None
-        if t1 is not None:
+        if t1_amplitudes is not None:
             final_orbital_rotation_generator = np.zeros((norb, norb), dtype=complex)
-            final_orbital_rotation_generator[:nocc, nocc:] = t1
-            final_orbital_rotation_generator[nocc:, :nocc] = -t1.T
+            final_orbital_rotation_generator[:nocc, nocc:] = t1_amplitudes
+            final_orbital_rotation_generator[nocc:, :nocc] = -t1_amplitudes.T
             final_orbital_rotation = scipy.linalg.expm(final_orbital_rotation_generator)
 
         return UCJOperator(

diff --git a/tests/variational/lucj_test.py b/tests/variational/lucj_test.py
@@ -79,7 +79,7 @@ def test_t_amplitudes_roundtrip():
     t2 = ffsim.random.random_t2_amplitudes(norb, nocc)
     t1 = rng.standard_normal((nocc, norb - nocc))
 
-    operator = ffsim.UCJOperator.from_t_amplitudes(t2, t1=t1)
+    operator = ffsim.UCJOperator.from_t_amplitudes(t2, t1_amplitudes=t1)
     t2_roundtripped, t1_roundtripped = operator.to_t_amplitudes(nocc=nocc)
 
     np.testing.assert_allclose(