More refactoring.

m3gnet/graph/_compute.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 Computing various graph based operations
 """

m3gnet/layers/_atom_ref.py

@@ -1,7 +1,7 @@
 """
 atomic reference. Used for predicting extensive properties.
 """
-# -*- coding: utf-8 -*-
+
 import logging
 from typing import List, Optional
 

m3gnet/models/_m3gnet.py

@@ -34,7 +34,6 @@
     polynomial,
 )
 from m3gnet.utils import register_plain
-from m3gnet.utils.constants import MODEL_NAME
 
 from ._base import GraphModelMixin
 
@@ -50,6 +49,7 @@
 For example, MP-2021.2.8-EFS denotes a potential trained on Materials Project energies, forces and stresses as of
 2021.2.8.
 """
+MODEL_NAME = "m3gnet"
 
 MODEL_PATHS = {"MP-2021.2.8-EFS": os.path.join(CWD, "..", "..", "pretrained", "MP-2021.2.8-EFS")}
 
@@ -312,7 +312,6 @@ def save(self, dirname: str):
         fname = os.path.join(dirname, MODEL_NAME + ".json")
         with open(fname, "w") as f:
             json.dump(model_serialized, f)
-        return True
 
     @classmethod
     def from_dir(cls, dirname: str, custom_objects: Optional[dict] = None) -> "M3GNet":

m3gnet/type.py

@@ -1,5 +1,4 @@
-# -*- coding: utf-8 -*-
-"""Define several typing for convenient use"""
+"""Define several types for convenient use"""
 
 from typing import Any, Callable, List, Optional, Union