make converter default matching v0.3.0

Author: bowen-bd

chgnet/graph/converter.py

@@ -33,7 +33,7 @@ class CrystalGraphConverter(nn.Module):
 
     def __init__(
         self,
-        atom_graph_cutoff: float = 5,
+        atom_graph_cutoff: float = 6,
         bond_graph_cutoff: float = 3,
         algorithm: Literal["legacy", "fast"] = "fast",
         on_isolated_atoms: Literal["ignore", "warn", "error"] = "error",

chgnet/graph/graph.py

@@ -52,7 +52,7 @@ def __repr__(self):
     def __hash__(self) -> int:
         """Hash this edge."""
         img = (self.info or {}).get("image")
-        img_str = "" if img is None else img.tostring()
+        img_str = "" if img is None else img.tobytes()
         return hash((self.nodes[0], self.nodes[1], img_str))
 
     @abstractmethod