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

for more information, see https://pre-commit.ci
deepmodeling · Dec 18, 2024 · 5036545 · 5036545
1 parent e48eb8b
commit 5036545
Show file tree

Hide file tree

Showing 3 changed files with 13 additions and 7 deletions.
diff --git a/deepmd/entrypoints/test.py b/deepmd/entrypoints/test.py
@@ -876,7 +876,7 @@ def test_property(
 
         if has_atom_property:
             for ii in range(numb_test):
-                test_out = test_data[f"atom_property"][ii].reshape(-1, 1)
+                test_out = test_data["atom_property"][ii].reshape(-1, 1)
                 pred_out = aproperty[ii].reshape(-1, 1)
 
                 frame_output = np.hstack((test_out, pred_out))

diff --git a/deepmd/pt/model/atomic_model/base_atomic_model.py b/deepmd/pt/model/atomic_model/base_atomic_model.py
@@ -459,7 +459,11 @@ def change_out_bias(
             )
             self._store_out_stat(delta_bias, out_std, add=True)
         elif bias_adjust_mode == "set-by-statistic":
-            property_name = self.fitting_net.property_name if "property_name" in vars(self.fitting_net) else None
+            property_name = (
+                self.fitting_net.property_name
+                if "property_name" in vars(self.fitting_net)
+                else None
+            )
             bias_out, std_out = compute_output_stats(
                 sample_merged,
                 self.get_ntypes(),

diff --git a/deepmd/pt/utils/stat.py b/deepmd/pt/utils/stat.py
@@ -482,10 +482,12 @@ def compute_output_stats_global(
         if kk in stats_input:
             if property_name is not None:
                 assert len(keys) == 1
-                bias_atom_e["property"], std_atom_e["property"] = compute_stats_property(
-                    stats_input[kk],
-                    merged_natoms[kk],
-                    assigned_bias=assigned_atom_ener[kk],
+                bias_atom_e["property"], std_atom_e["property"] = (
+                    compute_stats_property(
+                        stats_input[kk],
+                        merged_natoms[kk],
+                        assigned_bias=assigned_atom_ener[kk],
+                    )
                 )
                 return bias_atom_e, std_atom_e
             else:
@@ -498,7 +500,7 @@ def compute_output_stats_global(
         else:
             # this key does not have global labels, skip it.
             continue
-        
+
     bias_atom_e, std_atom_e = _post_process_stat(bias_atom_e, std_atom_e)
 
     # unbias_e is only used for print rmse