small fix for last_layer hanging gradients with PAINN (#300)

ORNL · Oct 29, 2024 · 46dc82f · 46dc82f
1 parent 0fafea7
commit 46dc82f
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/hydragnn/models/PAINNStack.py b/hydragnn/models/PAINNStack.py
@@ -44,7 +44,9 @@ def __init__(
 
     def _init_conv(self):
         last_layer = 1 == self.num_conv_layers
-        self.graph_convs.append(self.get_conv(self.input_dim, self.hidden_dim))
+        self.graph_convs.append(
+            self.get_conv(self.input_dim, self.hidden_dim, last_layer)
+        )
         self.feature_layers.append(nn.Identity())
         for i in range(self.num_conv_layers - 1):
             last_layer = i == self.num_conv_layers - 2