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

for more information, see https://pre-commit.ci

Author: pre-commit-ci[bot]

dpgen/generator/lib/abacus_scf.py

@@ -3,7 +3,6 @@
 import re
 
 import numpy as np
-
 from dpdata.abacus.stru import get_frame_from_stru, make_unlabeled_stru
 
 from dpgen.auto_test.lib import vasp
@@ -218,9 +217,15 @@ def make_abacus_scf_stru(
         fp_orb_files = [os.path.join(pporb, i) for i in fp_orb_files]
     if fp_dpks_descriptor is not None:
         fp_dpks_descriptor = os.path.join(pporb, fp_dpks_descriptor)
-    
-    c = make_unlabeled_stru(sys_data, 0, pp_files=fp_pp_files, numerical_orbital=fp_orb_files, numerical_descriptor=fp_dpks_descriptor)
-    
+
+    c = make_unlabeled_stru(
+        sys_data,
+        0,
+        pp_files=fp_pp_files,
+        numerical_orbital=fp_orb_files,
+        numerical_descriptor=fp_dpks_descriptor,
+    )
+
     return c
 
 

tests/auto_test/test_abacus.py

@@ -246,10 +246,22 @@ def compare_dict(dict1, dict2):
                         )
                     else:
                         self.assertTrue(dict1[key] == dict2[key])
-        compare_keys = ["atom_numbs", "atom_names", "atom_types", "cells", "coords", 
-                        'energies', 'forces', 'virials', 'stress']
-        compare_dict({k:ret["data"][k] for k in compare_keys}, 
-                      {k: ret_ref.data[k] for k in compare_keys})
+
+        compare_keys = [
+            "atom_numbs",
+            "atom_names",
+            "atom_types",
+            "cells",
+            "coords",
+            "energies",
+            "forces",
+            "virials",
+            "stress",
+        ]
+        compare_dict(
+            {k: ret["data"][k] for k in compare_keys},
+            {k: ret_ref.data[k] for k in compare_keys},
+        )
 
 
 class TestABACUSDeepKS(unittest.TestCase):