add time argument to apply_diag_coulomb_evolution function

python/ffsim/tenpy/gates/diag_coulomb.py

@@ -22,6 +22,7 @@
 def apply_diag_coulomb_evolution(
     eng: TEBDEngine,
     mat: np.ndarray,
+    time: float,
     *,
     norm_tol: float = 1e-5,
 ) -> None:
@@ -33,6 +34,7 @@ def apply_diag_coulomb_evolution(
     Args:
         eng: The TEBD engine.
         mat: The diagonal Coulomb matrices of dimension `(2, norb, norb)`.
+        time: The evolution time.
         norm_tol: The norm error above which we recanonicalize the MPS. In general, the
          application of a two-site gate to an MPS with truncation may degrade its
          canonical form. To mitigate this, we explicitly bring the MPS back into
@@ -54,11 +56,11 @@ def apply_diag_coulomb_evolution(
         if mat_aa[i, j]:
             apply_two_site(
                 eng,
-                num_num_interaction(-mat_aa[i, j]),
+                num_num_interaction(-time * mat_aa[i, j]),
                 (i, j),
                 norm_tol=norm_tol,
             )
 
     # apply alpha-beta gates
     for i in range(norb):
-        apply_single_site(eng, on_site_interaction(-mat_ab[i, i]), i)
+        apply_single_site(eng, on_site_interaction(-time * mat_ab[i, i]), i)

python/ffsim/tenpy/gates/ucj.py

@@ -55,7 +55,7 @@ def apply_ucj_op_spin_balanced(
             orb_rot.conjugate().T @ current_basis,
             norm_tol=norm_tol,
         )
-        apply_diag_coulomb_evolution(eng, diag_mats, norm_tol=norm_tol)
+        apply_diag_coulomb_evolution(eng, diag_mats, 1, norm_tol=norm_tol)
         current_basis = orb_rot
     if ucj_op.final_orbital_rotation is None:
         apply_orbital_rotation(

tests/python/tenpy/gates/basic_gates_test.py

@@ -75,8 +75,7 @@ def test_givens_rotation(norb: int, nelec: tuple[int, int], spin: Spin):
     )
 
     # apply random orbital rotation to MPS
-    options = {"trunc_params": {"chi_max": 16, "svd_min": 1e-6}}
-    eng = TEBDEngine(mps, None, options)
+    eng = TEBDEngine(mps, None, {})
     ffsim.tenpy.apply_two_site(eng, givens_rotation(theta, spin, phi=phi), (p, p + 1))
 
     # test expectation is preserved
@@ -130,8 +129,7 @@ def test_num_interaction(norb: int, nelec: tuple[int, int], spin: Spin):
     vec = ffsim.apply_num_interaction(original_vec, theta, p, norb, nelec, spin)
 
     # apply random number interaction to MPS
-    options = {"trunc_params": {"chi_max": 16, "svd_min": 1e-6}}
-    eng = TEBDEngine(mps, None, options)
+    eng = TEBDEngine(mps, None, {})
     ffsim.tenpy.apply_single_site(eng, num_interaction(theta, spin), p)
 
     # test expectation is preserved
@@ -180,8 +178,7 @@ def test_on_site_interaction(
     vec = ffsim.apply_on_site_interaction(original_vec, theta, p, norb, nelec)
 
     # apply random on-site interaction to MPS
-    options = {"trunc_params": {"chi_max": 16, "svd_min": 1e-6}}
-    eng = TEBDEngine(mps, None, options)
+    eng = TEBDEngine(mps, None, {})
     ffsim.tenpy.apply_single_site(eng, on_site_interaction(theta), p)
 
     # test expectation is preserved
@@ -237,8 +234,7 @@ def test_num_num_interaction(norb: int, nelec: tuple[int, int], spin: Spin):
     )
 
     # apply random number-number interaction to MPS
-    options = {"trunc_params": {"chi_max": 16, "svd_min": 1e-6}}
-    eng = TEBDEngine(mps, None, options)
+    eng = TEBDEngine(mps, None, {})
     ffsim.tenpy.apply_two_site(eng, num_num_interaction(theta, spin), (p, p + 1))
 
     # test expectation is preserved

tests/python/tenpy/gates/diag_coulomb_test.py

@@ -29,10 +29,7 @@
         (4, (0, 0)),
     ],
 )
-def test_apply_diag_coulomb_evolution(
-    norb: int,
-    nelec: tuple[int, int],
-):
+def test_apply_diag_coulomb_evolution(norb: int, nelec: tuple[int, int]):
     """Test applying a diagonal Coulomb evolution gate to an MPS."""
     rng = np.random.default_rng()
 
@@ -57,16 +54,16 @@ def test_apply_diag_coulomb_evolution(
     mat_aa += mat_aa.T
     mat_ab = np.diag(rng.standard_normal(norb))
     diag_coulomb_mats = np.array([mat_aa, mat_ab, mat_aa])
+    time = rng.random()
 
     # apply random diagonal Coulomb evolution to state vector
     vec = ffsim.apply_diag_coulomb_evolution(
-        original_vec, diag_coulomb_mats, 1, norb, nelec
+        original_vec, diag_coulomb_mats, time, norb, nelec
     )
 
     # apply random diagonal Coulomb evolution to MPS
-    options = {"trunc_params": {"chi_max": 16, "svd_min": 1e-6}}
-    eng = TEBDEngine(mps, None, options)
-    ffsim.tenpy.apply_diag_coulomb_evolution(eng, diag_coulomb_mats[:2])
+    eng = TEBDEngine(mps, None, {})
+    ffsim.tenpy.apply_diag_coulomb_evolution(eng, diag_coulomb_mats[:2], time)
 
     # test expectation is preserved
     original_expectation = np.vdot(original_vec, vec)

tests/python/tenpy/gates/orbital_rotation_test.py

@@ -59,8 +59,7 @@ def test_apply_orbital_rotation(
     vec = ffsim.apply_orbital_rotation(original_vec, mat, norb, nelec)
 
     # apply random orbital rotation to MPS
-    options = {"trunc_params": {"chi_max": 16, "svd_min": 1e-6}}
-    eng = TEBDEngine(mps, None, options)
+    eng = TEBDEngine(mps, None, {})
     ffsim.tenpy.apply_orbital_rotation(eng, mat)
 
     # test expectation is preserved