rename

Author: OutisLi

deepmd/tf/utils/compat.py

@@ -4,15 +4,15 @@
 from deepmd.utils.compat import (
     convert_input_v0_v1,
     convert_input_v1_v2,
-    convert_optimizer_to_new_format,
+    convert_optimizer_v31_to_v32,
     deprecate_numb_test,
     update_deepmd_input,
 )
 
 __all__ = [
     "convert_input_v0_v1",
     "convert_input_v1_v2",
-    "convert_optimizer_to_new_format",
+    "convert_optimizer_v31_to_v32",
     "deprecate_numb_test",
     "update_deepmd_input",
 ]

deepmd/utils/compat.py

@@ -457,17 +457,17 @@ def is_deepmd_v1_input(jdata: dict[str, Any]) -> bool:
         jdata = deprecate_numb_test(jdata, warning, dump)
 
     jdata = migrate_training_warmup(jdata, warning=warning)
-    jdata = convert_optimizer_to_new_format(jdata, warning=warning)
+    jdata = convert_optimizer_v31_to_v32(jdata, warning=warning)
     return jdata
 
 
-def convert_optimizer_to_new_format(
+def convert_optimizer_v31_to_v32(
     jdata: dict[str, Any], warning: bool = True
 ) -> dict[str, Any]:
-    """Convert old optimizer format (in training section) to new format (separate optimizer section).
+    """Convert optimizer format from v3.1 to v3.2.
 
-    Old format: optimizer parameters (opt_type, kf_blocksize, etc.) in training section.
-    New format: separate optimizer section with type field.
+    v3.1 format: optimizer parameters (opt_type, kf_blocksize, etc.) in training section.
+    v3.2 format: separate optimizer section with type field.
 
     Parameters
     ----------

source/tests/pd/test_training.py

@@ -22,7 +22,7 @@
     get_finetune_rules,
 )
 from deepmd.utils.compat import (
-    convert_optimizer_to_new_format,
+    convert_optimizer_v31_to_v32,
 )
 
 from .model.test_permutation import (
@@ -154,7 +154,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -172,7 +172,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -193,7 +193,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -215,7 +215,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -232,7 +232,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file

source/tests/pt/test_training.py

@@ -20,7 +20,7 @@
     get_finetune_rules,
 )
 from deepmd.utils.compat import (
-    convert_optimizer_to_new_format,
+    convert_optimizer_v31_to_v32,
 )
 
 from .model.test_permutation import (
@@ -182,7 +182,7 @@ def setUp(self) -> None:
         with open(input_json) as f:
             self.config = json.load(f)
         # Backward compatibility: convert old optimizer format
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -220,7 +220,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "dos/input.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "dos/data/atomic_system")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -239,7 +239,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/zbl.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -258,7 +258,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -280,7 +280,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -293,9 +293,7 @@ def setUp(self) -> None:
         input_json_zbl = str(Path(__file__).parent / "water/zbl.json")
         with open(input_json_zbl) as f:
             self.config_zbl = json.load(f)
-        self.config_zbl = convert_optimizer_to_new_format(
-            self.config_zbl, warning=False
-        )
+        self.config_zbl = convert_optimizer_v31_to_v32(self.config_zbl, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config_zbl["training"]["training_data"]["systems"] = data_file
         self.config_zbl["training"]["validation_data"]["systems"] = data_file
@@ -312,7 +310,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -330,7 +328,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -347,7 +345,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water_tensor/se_e2_a.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file_atomic = str(
             Path(__file__).parent / "water_tensor/dipole/atomic_system"
         )
@@ -377,7 +375,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water_tensor/se_e2_a.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file_atomic = str(
             Path(__file__).parent / "water_tensor/dipole/atomic_system"
         )
@@ -407,7 +405,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water_tensor/se_e2_a.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file_atomic = str(
             Path(__file__).parent / "water_tensor/dipole/atomic_system"
         )
@@ -437,7 +435,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water_tensor/se_e2_a.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file_atomic = str(
             Path(__file__).parent / "water_tensor/polar/atomic_system"
         )
@@ -472,7 +470,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water_tensor/se_e2_a.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file_atomic = str(
             Path(__file__).parent / "water_tensor/polar/atomic_system"
         )
@@ -507,7 +505,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water_tensor/se_e2_a.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file_atomic = str(
             Path(__file__).parent / "water_tensor/polar/atomic_system"
         )
@@ -542,7 +540,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         data_file = [str(Path(__file__).parent / "water/data/data_0")]
         self.config["training"]["training_data"]["systems"] = data_file
         self.config["training"]["validation_data"]["systems"] = data_file
@@ -554,7 +552,7 @@ def setUp(self) -> None:
         property_input = str(Path(__file__).parent / "property/input.json")
         with open(property_input) as f:
             self.config_property = json.load(f)
-        self.config_property = convert_optimizer_to_new_format(
+        self.config_property = convert_optimizer_v31_to_v32(
             self.config_property, warning=False
         )
         prop_data_file = [str(Path(__file__).parent / "property/double")]
@@ -614,7 +612,7 @@ def setUp(self) -> None:
         input_json = str(Path(__file__).parent / "water/se_atten.json")
         with open(input_json) as f:
             self.config = json.load(f)
-        self.config = convert_optimizer_to_new_format(self.config, warning=False)
+        self.config = convert_optimizer_v31_to_v32(self.config, warning=False)
         self.config["training"]["training_data"]["rglob_patterns"] = [
             "water/data/data_*"
         ]