Tweak behaviour of calculator.fromfile to avoid setting calc.director…

…y prematurely
epfl-theos · Oct 8, 2024 · ef6c80d · ef6c80d
1 parent 7891797
commit ef6c80d
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/koopmans/calculators/_calculator.py b/src/koopmans/calculators/_calculator.py
@@ -356,10 +356,10 @@ def fromfile(cls, filenames: Union[str, Path, List[str], List[Path]]):
 
         # Read qe output file
         for filename in [f for f in sanitized_filenames if f.suffix == cls.ext_out]:
-            calc.directory = filename.parent
             calc.prefix = filename.stem
             try:
-                calc.read_results()
+                with utils.chdir(filename.parent):
+                    calc.read_results()
             except Exception:
                 # Calculation could not be read; must have been incomplete
                 pass