Use PESCalculator in m3gnet (#1927)

Quantum-Accelerators · Mar 21, 2024 · 2d31b39 · 2d31b39
1 parent 8835fd8
commit 2d31b39
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/quacc/recipes/mlp/_base.py b/src/quacc/recipes/mlp/_base.py
@@ -44,11 +44,11 @@ def pick_calculator(
     if method.lower().startswith("m3gnet"):
         import matgl
         from matgl import __version__
-        from matgl.ext.ase import M3GNetCalculator
+        from matgl.ext.ase import PESCalculator
 
         model = matgl.load_model("M3GNet-MP-2021.2.8-DIRECT-PES")
         kwargs.setdefault("stress_weight", 1.0 / 160.21766208)
-        calc = M3GNetCalculator(potential=model, **kwargs)
+        calc = PESCalculator(potential=model, **kwargs)
 
     elif method.lower() == "chgnet":
         from chgnet import __version__