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deepmd/dpmodel/atomic_model/__init__.py

@@ -53,9 +53,9 @@
     "DPDipoleAtomicModel",
     "DPEnergyAtomicModel",
     "DPPolarAtomicModel",
+    "DPPropertyAtomicModel",
     "DPZBLLinearEnergyAtomicModel",
     "LinearEnergyAtomicModel",
     "PairTabAtomicModel",
     "make_base_atomic_model",
-    "DPPropertyAtomicModel",
 ]

deepmd/dpmodel/atomic_model/property_atomic_model.py

@@ -1,5 +1,6 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
 import numpy as np
+
 from deepmd.dpmodel.fitting.property_fitting import (
     PropertyFittingNet,
 )

deepmd/entrypoints/test.py

@@ -784,7 +784,7 @@ def test_property(
     assert isinstance(property_name, list)
     assert isinstance(property_dim, list)
     assert sum(property_dim) == dp.task_dim
-    for (name, dim) in zip(property_name, property_dim):
+    for name, dim in zip(property_name, property_dim):
         data.add(name, dim, atomic=False, must=True, high_prec=True)
         if has_atom_property:
             data.add(f"atom_{name}", dim, atomic=True, must=False, high_prec=True)
@@ -840,7 +840,7 @@ def test_property(
 
     concat_property = []
     concat_aproperty = []
-    for (name, dim) in zip(property_name, property_dim):
+    for name, dim in zip(property_name, property_dim):
         test_data[name] = test_data[name].reshape([numb_test, dim])
         test_data[f"atom_{name}"] = test_data[f"atom_{name}"].reshape(
             [numb_test, natoms * dim]

deepmd/pt/model/model/property_model.py

@@ -1,7 +1,7 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
 from typing import (
     Optional,
-    Union
+    Union,
 )
 
 import torch