fix

RagnarB83 · Aug 8, 2024 · 133dede · 133dede
1 parent 2282e4c
commit 133dede
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/ash/interfaces/interface_ccpy.py b/ash/interfaces/interface_ccpy.py
@@ -216,7 +216,7 @@ def get_natural_orbitals(self,rdm_matrix, mo_coeffs=None):
                 print("orca_mo_coeff found. Taking...")
                 mo_coeffs = self.orca_mo_coeff
 
-        if self.self.frozen_core_orbs > 0:
+        if self.frozen_core_orbs > 0:
             print("Found frozen core")
             print("mo_coeffs shape:", mo_coeffs.shape)
             mo_coeffs = mo_coeffs[self.frozen_core_orbs:, self.frozen_core_orbs:]