core: conventional mpo assert

block-hczhai · Jul 19, 2024 · 00dbcdd · 00dbcdd
1 parent 1e3a1f5
commit 00dbcdd
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/pyblock2/driver/core.py b/pyblock2/driver/core.py
@@ -3598,7 +3598,9 @@ def get_qc_mpo(
             h1e, g2e, ecore = self.parallelize_integrals(para_type, h1e, g2e, ecore)
 
         if algo_type is not None and MPOAlgorithmTypes.Conventional in algo_type:
+            assert normal_order_ref is None
             assert simple_const is False
+            assert not esptein_nesbet_partition
             fd = self.write_fcidump(h1e, g2e, ecore=ecore)
             return self.get_conventional_qc_mpo(fd, algo_type=algo_type, iprint=iprint)