From a2df67f8660bedb9f08177b7d29f8bca13f784f8 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Fri, 20 Sep 2024 17:02:12 -0400
Subject: [PATCH] fix: fix the default value of `std` (#15)

---
 README.md               | 2 +-
 deepmd_mace/argcheck.py | 2 +-
 deepmd_mace/mace.py     | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/README.md b/README.md
index fc487fe..78d98f9 100644
--- 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
index e2dfe9b..248ac0e 100644
--- 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
index 85513b4..d657cbe 100644
--- 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)