改进与新的文件格式

2025-11-06 23:47:29 +08:00
parent a66b44bc98
commit 92f9903307
5 changed files with 30 additions and 16 deletions
--- a/src/heurams/kernel/particles/loader.py
+++ b/src/heurams/kernel/particles/loader.py
@@ -28,7 +28,7 @@ def load_nucleon(path: pathlib.Path, fmt = "toml"):
        for item, attr in nested_data.items():
            if item == "__metadata__":
                continue
-            lst.append((Nucleon(hasher.hash(item), attr), nested_data["__metadata__"]["orbital"]))
+            lst.append((Nucleon(hasher.hash(item), attr, nested_data['__metadata__']), nested_data["__metadata__"]["orbital"]))
        return lst

 def load_electron(path: pathlib.Path, fmt = "json") -> dict: