[pre-commit.ci] auto fixes from pre-commit.com hooks

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deepmd/pt/model/task/fitting.py

@@ -254,9 +254,7 @@ def change_energy_bias(
         )
         # data
         systems = config["training"]["training_data"]["systems"]
-        finetune_data = DpLoaderSet(
-            systems, ntest, config["model"]
-        )
+        finetune_data = DpLoaderSet(systems, ntest, config["model"])
         sampled = make_stat_input(finetune_data.systems, finetune_data.dataloaders, 1)
         # map
         sorter = np.argsort(old_type_map)

deepmd/pt/utils/dataloader.py

@@ -12,6 +12,7 @@
 from typing import (
     List,
 )
+
 import h5py
 import torch
 import torch.distributed as dist
@@ -28,9 +29,6 @@
     DistributedSampler,
 )
 
-from deepmd.pt.model.descriptor import (
-    Descriptor,
-)
 from deepmd.pt.utils import (
     env,
 )

deepmd/pt/utils/dataset.py

@@ -1,21 +1,14 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
-import glob
-import os
-from typing import (
-    List,
-    Optional,
-)
 
-import h5py
-import numpy as np
-import torch
 from torch.utils.data import (
     Dataset,
 )
+
 from deepmd.utils.data import (
     DeepmdData,
 )
 
+
 class DeepmdDataSetForLoader(Dataset):
     def __init__(
         self,
@@ -42,7 +35,6 @@ def __init__(
         self._natoms = self._data_system.natoms
         self._natoms_vec = self._data_system.get_natoms_vec(self._ntypes)
 
-
     def __len__(self):
         return self._data_system.nframes
 

source/tests/pt/model/test_embedding_net.py

@@ -51,10 +51,10 @@ def get_single_batch(dataset, index=None):
         index = dp_random.choice(np.arange(len(dataset)))
     np_batch = dataset[index]
     pt_batch = {}
-    
+
     for key in ["coord", "box", "force", "energy", "virial", "atype", "natoms"]:
         if key in np_batch.keys():
-            np_batch[key] = np.expand_dims(np_batch[key], axis=0) 
+            np_batch[key] = np.expand_dims(np_batch[key], axis=0)
             pt_batch[key] = torch.as_tensor(np_batch[key])
     np_batch["coord"] = np_batch["coord"].reshape(1, -1)
     np_batch["natoms"] = np_batch["natoms"][0]

source/tests/pt/test_loss.py

@@ -46,9 +46,7 @@ def get_batch():
     systems = config["training"]["validation_data"]["systems"]
     if isinstance(systems, str):
         systems = expand_sys_str(systems)
-    dataset = DeepmdDataSetForLoader(
-        systems[0], model_config["type_map"]
-    )
+    dataset = DeepmdDataSetForLoader(systems[0], model_config["type_map"])
     np_batch, pt_batch = get_single_batch(dataset)
     return np_batch, pt_batch