fixed a bug in soscf/newton_ah.py

sunqm · Oct 16, 2023 · 501ed17 · 501ed17
1 parent c3aa173
commit 501ed17
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/pyscf/soscf/newton_ah.py b/pyscf/soscf/newton_ah.py
@@ -705,7 +705,8 @@ def build(self, mol=None):
     def reset(self, mol=None):
         if mol is not None:
             self.mol = mol
-        return self._scf.reset(mol)
+        self._scf.reset(mol)
+        return self
 
     def kernel(self, mo_coeff=None, mo_occ=None, dm0=None):
         cput0 = (logger.process_clock(), logger.perf_counter())