parser parses Orca input file

ReactionMechanismGenerator · Oct 2, 2024 · babdbf9 · babdbf9
1 parent 0cef23a
commit babdbf9
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/arc/parser.py b/arc/parser.py
@@ -738,7 +738,7 @@ def parse_xyz_from_file(path: str) -> Optional[Dict[str, tuple]]:
                 splits = line.split()
                 if len(splits) == 2 and all([s.isdigit() for s in splits]):
                     start_parsing = True
-    elif 'out' in file_extension or 'log' in file_extension:
+    elif 'out' in file_extension or 'log' in file_extension or 'in' in file_extension:
         xyz = parse_geometry(path)
     elif "yml" in file_extension or 'yaml' in file_extension:
         content = read_yaml_file(path=path)