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

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deepmodeling · May 21, 2024 · 0e27ad1 · 0e27ad1
1 parent 32d2fe9
commit 0e27ad1
Showing 1 changed file with 35 additions and 22 deletions.
diff --git a/tests/test_abacus_deltaspin.py b/tests/test_abacus_deltaspin.py
@@ -5,11 +5,11 @@
 import numpy as np
 from context import dpdata
 
+
 class TestABACUSDeltaSpin(unittest.TestCase):
     """Make a test for the DeltaSpin module in ABACUS"""
 
     def setUp(self):
-
         self.system_1 = dpdata.LabeledSystem(
             ("./abacus.scf.deltaspin"), fmt="abacus/scf"
         )
@@ -22,7 +22,7 @@ def setUp(self):
                 "coords": np.array(
                     [
                         [
-                            [0.       , 0.       , 0.       ],
+                            [0.0, 0.0, 0.0],
                             [1.4349999, 1.4349999, 1.4349999],
                         ]
                     ]
@@ -31,58 +31,71 @@ def setUp(self):
                 "forces": np.array(
                     [
                         [
-                            [0., 0., 0.,],
-                            [0., 0., 0.,],
+                            [
+                                0.0,
+                                0.0,
+                                0.0,
+                            ],
+                            [
+                                0.0,
+                                0.0,
+                                0.0,
+                            ],
                         ]
                     ]
                 ),
-                "spin": np.array
-                (
+                "spin": np.array(
                     [
                         [
-                            [0.,         0.,         2.19999997],
-                            [0.,         0.,         2.20000001],
+                            [0.0, 0.0, 2.19999997],
+                            [0.0, 0.0, 2.20000001],
                         ]
                     ]
                 ),
-                "cells": np.array
-                (
+                "cells": np.array(
                     [
                         [
-                            [2.86999979, 0.        ,0.        ],
-                            [0.,         2.86999979, 0.        ],
-                            [0.,         0.        , 2.86999979],
+                            [2.86999979, 0.0, 0.0],
+                            [0.0, 2.86999979, 0.0],
+                            [0.0, 0.0, 2.86999979],
                         ]
                     ]
                 ),
                 "virial": np.array(
                     [
                         [
                             [-3.95996034e-01, -3.25934940e-09, -4.71565445e-09],
-                            [-3.25934940e-09, -3.95996551e-01,  1.92993618e-09],
-                            [-4.71565445e-09,  1.92993618e-09, -3.95998805e-01],
+                            [-3.25934940e-09, -3.95996551e-01, 1.92993618e-09],
+                            [-4.71565445e-09, 1.92993618e-09, -3.95998805e-01],
                         ]
                     ]
                 ),
                 "mag_forces": np.array(
                     [
                         [
-                            [ 0.00000000e+00, -1.12095051e-09,  1.80736102e-09],      
-                            [ 1.00000000e+00,  3.54604018e-09, -2.33608701e-10],
+                            [0.00000000e00, -1.12095051e-09, 1.80736102e-09],
+                            [1.00000000e00, 3.54604018e-09, -2.33608701e-10],
                         ]
                     ]
                 ),
                 "coors_deltaspin": np.array(
                     [
                         [
-                            [ 0.       ,   0.       ,   0.       ,   0.       ,   0.       , -0.44295301 ],
-                            [ 1.4349999,   1.4349999,   1.4349999,   1.4349999,   1.4349999, 0.99204688  ],
+                            [0.0, 0.0, 0.0, 0.0, 0.0, -0.44295301],
+                            [
+                                1.4349999,
+                                1.4349999,
+                                1.4349999,
+                                1.4349999,
+                                1.4349999,
+                                0.99204688,
+                            ],
                         ]
                     ]
-                )
+                ),
             }
         )
-        
+
 
 if __name__ == "__main__":
-    unittest.main()
+    unittest.main()