fix keyerror reader.py

SwaroopKunapuli · Jan 5, 2022 · 918f203 · 918f203
1 parent 12168d2
commit 918f203
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/mdsapt/reader.py b/mdsapt/reader.py
@@ -141,7 +141,7 @@ def _check_inputs(yaml_dict: dict) -> None:
             method = sapt_settings['method']
             basis = sapt_settings['basis']
             settings = sapt_settings['settings']
-            save_sapt_out = opt_settings['save_psi4_output']
+            save_sapt_out = sapt_settings['save_psi4_output']
 
             for pair in ag_pair:
                 if len(pair) != 2: