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deepmodeling · Jun 4, 2024 · 4d09586 · 4d09586
1 parent a394d97
commit 4d09586
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Showing 7 changed files with 14 additions and 14 deletions.
diff --git a/deepmd/tf/descriptor/se_a.py b/deepmd/tf/descriptor/se_a.py
@@ -1371,7 +1371,7 @@ def deserialize(cls, data: dict, suffix: str = ""):
         if cls is not DescrptSeA:
             raise NotImplementedError(f"Not implemented in class {cls.__name__}")
         data = data.copy()
-        check_version_compatibility(data.pop("@version", 1), 1, 1)
+        check_version_compatibility(data.pop("@version", 1), 2, 1)
         data.pop("@class", None)
         data.pop("type", None)
         embedding_net_variables = cls.deserialize_network(
@@ -1427,7 +1427,7 @@ def serialize(self, suffix: str = "") -> dict:
         return {
             "@class": "Descriptor",
             "type": "se_e2_a",
-            "@version": 1,
+            "@version": 2,
             "rcut": self.rcut_r,
             "rcut_smth": self.rcut_r_smth,
             "sel": self.sel_a,

diff --git a/deepmd/tf/descriptor/se_r.py b/deepmd/tf/descriptor/se_r.py
@@ -730,7 +730,7 @@ def deserialize(cls, data: dict, suffix: str = ""):
         if cls is not DescrptSeR:
             raise NotImplementedError(f"Not implemented in class {cls.__name__}")
         data = data.copy()
-        check_version_compatibility(data.pop("@version", 1), 1, 1)
+        check_version_compatibility(data.pop("@version", 1), 2, 1)
         embedding_net_variables = cls.deserialize_network(
             data.pop("embeddings"), suffix=suffix
         )
@@ -772,7 +772,7 @@ def serialize(self, suffix: str = "") -> dict:
         return {
             "@class": "Descriptor",
             "type": "se_r",
-            "@version": 1,
+            "@version": 2,
             "rcut": self.rcut,
             "rcut_smth": self.rcut_smth,
             "sel": self.sel_r,

diff --git a/deepmd/tf/descriptor/se_t.py b/deepmd/tf/descriptor/se_t.py
@@ -883,7 +883,7 @@ def deserialize(cls, data: dict, suffix: str = ""):
         if cls is not DescrptSeT:
             raise NotImplementedError(f"Not implemented in class {cls.__name__}")
         data = data.copy()
-        check_version_compatibility(data.pop("@version", 1), 1, 1)
+        check_version_compatibility(data.pop("@version", 1), 2, 1)
         data.pop("@class", None)
         data.pop("type", None)
         embedding_net_variables = cls.deserialize_network(
@@ -926,7 +926,7 @@ def serialize(self, suffix: str = "") -> dict:
         return {
             "@class": "Descriptor",
             "type": "se_e3",
-            "@version": 1,
+            "@version": 2,
             "rcut": self.rcut_r,
             "rcut_smth": self.rcut_r_smth,
             "sel": self.sel_a,

diff --git a/deepmd/tf/fit/dipole.py b/deepmd/tf/fit/dipole.py
@@ -365,7 +365,7 @@ def serialize(self, suffix: str) -> dict:
         data = {
             "@class": "Fitting",
             "type": "dipole",
-            "@version": 1,
+            "@version": 2,
             "ntypes": self.ntypes,
             "dim_descrpt": self.dim_descrpt,
             "embedding_width": self.dim_rot_mat_1,
@@ -406,7 +406,7 @@ def deserialize(cls, data: dict, suffix: str):
             The deserialized model
         """
         data = data.copy()
-        check_version_compatibility(data.pop("@version", 1), 1, 1)
+        check_version_compatibility(data.pop("@version", 1), 2, 1)
         fitting = cls(**data)
         fitting.fitting_net_variables = cls.deserialize_network(
             data["nets"],

diff --git a/deepmd/tf/fit/dos.py b/deepmd/tf/fit/dos.py
@@ -673,7 +673,7 @@ def deserialize(cls, data: dict, suffix: str = ""):
             The deserialized model
         """
         data = data.copy()
-        check_version_compatibility(data.pop("@version", 1), 1, 1)
+        check_version_compatibility(data.pop("@version", 1), 2, 1)
         data["numb_dos"] = data.pop("dim_out")
         fitting = cls(**data)
         fitting.fitting_net_variables = cls.deserialize_network(
@@ -700,7 +700,7 @@ def serialize(self, suffix: str = "") -> dict:
         data = {
             "@class": "Fitting",
             "type": "dos",
-            "@version": 1,
+            "@version": 2,
             "var_name": "dos",
             "ntypes": self.ntypes,
             "dim_descrpt": self.dim_descrpt,

diff --git a/deepmd/tf/fit/ener.py b/deepmd/tf/fit/ener.py
@@ -874,7 +874,7 @@ def deserialize(cls, data: dict, suffix: str = ""):
             The deserialized model
         """
         data = data.copy()
-        check_version_compatibility(data.pop("@version", 1), 1, 1)
+        check_version_compatibility(data.pop("@version", 1), 2, 1)
         fitting = cls(**data)
         fitting.fitting_net_variables = cls.deserialize_network(
             data["nets"],
@@ -900,7 +900,7 @@ def serialize(self, suffix: str = "") -> dict:
         data = {
             "@class": "Fitting",
             "type": "ener",
-            "@version": 1,
+            "@version": 2,
             "var_name": "energy",
             "ntypes": self.ntypes,
             "dim_descrpt": self.dim_descrpt,

diff --git a/deepmd/tf/fit/polar.py b/deepmd/tf/fit/polar.py
@@ -558,7 +558,7 @@ def serialize(self, suffix: str) -> dict:
         data = {
             "@class": "Fitting",
             "type": "polar",
-            "@version": 1,
+            "@version": 3,
             "ntypes": self.ntypes,
             "dim_descrpt": self.dim_descrpt,
             "embedding_width": self.dim_rot_mat_1,
@@ -603,7 +603,7 @@ def deserialize(cls, data: dict, suffix: str):
         """
         data = data.copy()
         check_version_compatibility(
-            data.pop("@version", 1), 2, 1
+            data.pop("@version", 1), 3, 1
         )  # to allow PT version.
         fitting = cls(**data)
         fitting.fitting_net_variables = cls.deserialize_network(