Fix OO bug

Qiskit · Oct 1, 2024 · d5270cf · d5270cf
1 parent 2d1ba67
commit d5270cf
Show file tree

Hide file tree

Showing 2 changed files with 5 additions and 1 deletion.
diff --git a/qiskit_addon_sqd/fermion.py b/qiskit_addon_sqd/fermion.py
@@ -240,7 +240,7 @@ def optimize_orbitals(
             k_flat, learning_rate, 0.9, num_steps_grad, dm1, dm2, hcore, eri_phys
         )
 
-    return e_qsci, k_flat, [np.diagonal(dm1), np.diagonal(dm1)]
+    return e_qsci, k_flat, [np.diagonal(dm1), np.diagonal(dm2_chem)]
 
 
 def rotate_integrals(

diff --git a/releasenotes/notes/oo-bug-occs-3c348b86ee03857f.yaml b/releasenotes/notes/oo-bug-occs-3c348b86ee03857f.yaml
@@ -0,0 +1,4 @@
+---
+fixes:
+  - |
+    Fixed a bug in open-shell workflows where the spin-up/spin-down average orbital occupancies returned from :func:`qiskit_addon_sqd.fermion.optimize_orbitals` both reflected the occupancies of the alpha particles, rather than returning the occupancies of the alpha and beta particles.