allowing to set mad geometry options, such as no_orient

tequilahub · Nov 29, 2023 · e3b8c53 · e3b8c53
1 parent 9d7483d
commit e3b8c53
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/tequila/quantumchemistry/madness_interface.py b/src/tequila/quantumchemistry/madness_interface.py
@@ -696,9 +696,9 @@ def write_madness_input(self, n_pno=None, n_virt=0, filename="input", maxrank=No
                 data[key] = {**data[key], **kwargs[key]}
 
         geom = {}
-        if hasattr(self, mad_geometry_options):
+        if hasattr(self, "mad_geometry_options"):
             geom = self.mad_geometry_options
-        
+
         if "units" not in geom:
             geom["units"] = "angstrom"
         if "eprec" not in geom: