fix style

Author: RichRick1

moha/molkit/hamiltonians.py

@@ -45,7 +45,8 @@ def antisymmetrize(self):
         if not hasattr(self, "two_body_spin"):
             raise RuntimeError(
                 "Call .spinize_H() first to compute spin-orbital form.")
-        self.two_body_spin = antisymmetrize_two_body(self.two_body_spin, inplace=True)
+        self.two_body_spin = antisymmetrize_two_body(self.two_body_spin,
+                                                     inplace=True)
 
     def get_spin_blocks(self):
         """Return the main spin blocks of the two-body spin-orbital tensor.

moha/molkit/utils/spinops.py

@@ -49,7 +49,8 @@ def antisymmetrize_two_body(
     The operation applied is
 
     .. math::
-        \langle i j \| k l\rangle=\langle i j \mid k l\rangle-\langle i j \mid l k\rangle
+        \langle ij\| kl\rangle=
+        \langle ij\mid kl\rangle-\langle ij\mid lk\rangle
 
     Keep in mind, that such operation produces terms of the form
     abba, baab, that are not present in the original tensor.

moha/test/test_molham.py

@@ -25,6 +25,7 @@ def test_antisymmetrize():
 
     assert_allclose(mol_ham.two_body[:2, :2, :2, :2], expected_two_body_aa)
 
+
 def test_to_geminal():
     """Test conversion to geminal basis."""
     n_orb = 4
@@ -53,12 +54,11 @@ def test_to_reduced_ham():
     mol_ham = MolHam(one_body=one_body, two_body=two_body)
     reduced_ham = mol_ham.to_reduced(n_elec=2)
 
-
     # sum over the spin-orbital indices
     reduced_ham = reduced_ham[:2, :2, :2, :2] +\
-                  reduced_ham[2:, 2:, 2:, 2:] +\
-                  reduced_ham[:2, 2:, :2, 2:] +\
-                  reduced_ham[2:, :2, 2:, :2]
+        reduced_ham[2:, 2:, 2:, 2:] +\
+        reduced_ham[:2, 2:, :2, 2:] +\
+        reduced_ham[2:, :2, 2:, :2]
     reduced_ham *= 0.25
 
     reduced_ham_true = 0.5 * two_body
@@ -67,4 +67,4 @@ def test_to_reduced_ham():
     reduced_ham_true[0, 1, 0, 1] = 1
     reduced_ham_true[1, 0, 1, 0] = 1
 
-    assert_allclose(reduced_ham, reduced_ham_true)
+    assert_allclose(reduced_ham, reduced_ham_true)