fix key transforms

torchmd · Jun 19, 2023 · 6c71e75 · 6c71e75
1 parent 4f82889
commit 6c71e75
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/torchmdnet/calculators.py b/torchmdnet/calculators.py
@@ -11,7 +11,7 @@
         energy * 627.509,
         forces * 627.509 / 0.529177,
     ),  # Hartree -> kcal/mol, Hartree/Bohr -> kcal/mol/A
-    "Haetree/A -> kcal/mol/A": lambda energy, forces: (
+    "Hartree/A -> kcal/mol/A": lambda energy, forces: (
         energy * 627.509,
         forces * 627.509,
     ),  # Hartree -> kcal/mol, Hartree/A -> kcal/mol/A