changed default non_linearity to silu, matching with pretrained model

CederGroupHub · Jun 20, 2023 · 2ca8e80 · 2ca8e80
1 parent 0a90245
commit 2ca8e80
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/chgnet/model/model.py b/chgnet/model/model.py
@@ -51,7 +51,7 @@ def __init__(
         mlp_dropout: float = 0,
         mlp_first: bool = True,
         is_intensive: bool = True,
-        non_linearity: Literal["silu", "relu", "tanh", "gelu"] = "relu",
+        non_linearity: Literal["silu", "relu", "tanh", "gelu"] = "silu",
         atom_graph_cutoff: int = 5,
         bond_graph_cutoff: int = 3,
         cutoff_coeff: int = 5,