Merge branch 'refs/heads/develop'

SMTG-Bham · Jun 5, 2024 · 8fa18b3 · 8fa18b3
2 parents b61e93d + ecc044e
commit 8fa18b3
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/doped/vasp.py b/doped/vasp.py
@@ -533,6 +533,7 @@ def write_input(
  if not str(e).startswith("NELECT") or not potcar_spec:
  raise e
 
+ os.makedirs(output_path, exist_ok=True)
  with zopen(os.path.join(output_path, "POTCAR.spec"), "wt") as pot_spec_file:
  pot_spec_file.write("\n".join(self.potcar_symbols))