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

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deepmd/fit/dipole.py

@@ -1,6 +1,7 @@
 import logging
 from typing import List
 from typing import Optional
+
 import numpy as np
 from paddle import nn
 
@@ -242,7 +243,9 @@ def forward(
 
         if type_embedding is not None:
             nloc_mask = paddle.reshape(
-                paddle.tile(paddle.repeat_interleave(self.sel_mask, natoms[2:]), [nframes]),
+                paddle.tile(
+                    paddle.repeat_interleave(self.sel_mask, natoms[2:]), [nframes]
+                ),
                 [nframes, -1],
             )
             atype_nall = paddle.reshape(atype, [-1, natoms[1]])
@@ -253,9 +256,7 @@ def forward(
             self.nloc_masked = paddle.shape(
                 paddle.reshape(self.atype_nloc_masked, [nframes, -1])
             )[1]
-            atype_embed = nn.embedding_lookup(
-                type_embedding, self.atype_nloc_masked
-            )
+            atype_embed = nn.embedding_lookup(type_embedding, self.atype_nloc_masked)
         else:
             atype_embed = None
 

deepmd/model/tensor.py

@@ -154,7 +154,7 @@ def forward(
 
         rot_mat = self.descrpt.get_rot_mat()
         rot_mat = paddle.clone(rot_mat, name="o_rot_mat" + suffix)
- 
+
         output = self.fitting(
             dout, rot_mat, natoms, input_dict, reuse=reuse, suffix=suffix
         )

deepmd/train/trainer.py

@@ -28,8 +28,8 @@
 from deepmd.env import tf
 from deepmd.env import tfv2
 from deepmd.fit import Fitting
-from deepmd.fit import ener
 from deepmd.fit import dipole
+from deepmd.fit import ener
 from deepmd.loss import DOSLoss
 from deepmd.loss import EnerDipoleLoss
 from deepmd.loss import EnerSpinLoss