Fix import.

chemle · Jan 11, 2024 · 4d4a239 · 4d4a239
1 parent 728cc6e
commit 4d4a239
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/emle/sander_calculator.py b/emle/sander_calculator.py
@@ -87,7 +87,7 @@ def calculate(
         # Update the positions.
         sander.set_positions(positions)
 
-        from .emle import KCAL_MOL_TO_HARTREE, BOHR_TO_ANGSTROM
+        from .calculator import KCAL_MOL_TO_HARTREE, BOHR_TO_ANGSTROM
 
         # Compute the energy and forces.
         energy, forces = sander.energy_forces()