Capitalize INCAR keys by default. #4122

materialsproject · Oct 18, 2024 · 042bea3 · 042bea3
1 parent 4f7aa35
commit 042bea3
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/pymatgen/io/vasp/inputs.py b/src/pymatgen/io/vasp/inputs.py
@@ -743,7 +743,7 @@ def __setitem__(self, key: str, val: Any) -> None:
         leading and trailing white spaces.
         """
         super().__setitem__(
-            key.strip(),
+            key.strip().capitalize(),
             type(self).proc_val(key.strip(), val.strip()) if isinstance(val, str) else val,
         )