Fix argument name.

chemle · Jan 19, 2024 · e5f6032 · e5f6032
1 parent 4d7f9cd
commit e5f6032
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/emle/calculator.py b/emle/calculator.py
@@ -2502,9 +2502,9 @@ def _run_orca(
         if orca_input is not None and not _os.path.isfile(orca_input):
             raise IOError(f"Unable to locate the ORCA input file: {orca_input}")
 
-        if xyz_qm_file is not None and not isinstance(xyz_file_qm, str):
+        if xyz_file_qm is not None and not isinstance(xyz_file_qm, str):
             raise TypeError("'xyz_file_qm' must be of type 'str'.")
-        if xyz_qm_file is not None and not _os.path.isfile(xyz_file_qm):
+        if xyz_file_qm is not None and not _os.path.isfile(xyz_file_qm):
             raise IOError(f"Unable to locate the ORCA QM xyz file: {xyz_file_qm}")
 
         if atomic_numbers is not None and not isinstance(atomic_numbers, _np.ndarray):