allow passing all calculator to MD

CederGroupHub · Jan 13, 2025 · a3098cc · a3098cc
1 parent 5ef8876
commit a3098cc
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/chgnet/model/dynamics.py b/chgnet/model/dynamics.py
@@ -530,7 +530,7 @@ def __init__(
             Stationary(atoms)
 
         self.atoms = atoms
-        if isinstance(model, CHGNetCalculator):
+        if isinstance(model, Calculator):
             self.atoms.calc = model
         else:
             self.atoms.calc = CHGNetCalculator(