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deepmd/jax/utils/serialization.py

@@ -68,7 +68,9 @@ def call_lower_with_fixed_do_atomic_virial(
                 )
 
             return jax_export.export(jax.jit(call_lower_with_fixed_do_atomic_virial))(
-                jax.ShapeDtypeStruct((nf, nloc + nghost, 3), jnp.float64),  # extended_coord
+                jax.ShapeDtypeStruct(
+                    (nf, nloc + nghost, 3), jnp.float64
+                ),  # extended_coord
                 jax.ShapeDtypeStruct((nf, nloc + nghost), jnp.int32),  # extended_atype
                 jax.ShapeDtypeStruct((nf, nloc, model.get_nnei()), jnp.int64),  # nlist
                 jax.ShapeDtypeStruct((nf, nloc + nghost), jnp.int64),  # mapping