fix: fix the default value of std (#15)

deepmodeling · Sep 20, 2024 · a2df67f · a2df67f
1 parent d14af46
commit a2df67f
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/README.md b/README.md
@@ -91,7 +91,7 @@ Below is default values for the MACE model, most of which follows default values
   "MLP_irreps": "16x0e",
   "radial_type": "bessel",
   "radial_MLP": [64, 64, 64],
-  "std": null,
+  "std": 1.0,
   "precision": "float32"
 }
 ```

diff --git a/deepmd_mace/argcheck.py b/deepmd_mace/argcheck.py
@@ -108,7 +108,7 @@ def mace_model_args() -> Argument:
                 default=[64, 64, 64],
                 doc=doc_radial_mlp,
             ),
-            Argument("std", float, optional=True, doc=doc_std),
+            Argument("std", float, optional=True, doc=doc_std, default=1),
             Argument(
                 "precision",
                 str,

diff --git a/deepmd_mace/mace.py b/deepmd_mace/mace.py
@@ -245,7 +245,7 @@ def __init__(
         MLP_irreps: str = "16x0e",
         radial_type: str = "bessel",
         radial_MLP: list[int] = [64, 64, 64],  # noqa: B006
-        std: Optional[float] = 1,
+        std: float = 1,
         **kwargs: Any,  # noqa: ANN401
     ) -> None:
         super().__init__(**kwargs)