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

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

Author: pre-commit-ci[bot]

pymatgen/io/vasp/outputs.py

@@ -3151,8 +3151,8 @@ def p_ion(results, match):
                 self.p_elec *= -1
                 self.p_ion *= -1
                 if self.spin and not self.noncollinear:
-                    self.p_sp1 *= -1 
-                    self.p_sp2 *= -1 
+                    self.p_sp1 *= -1
+                    self.p_sp2 *= -1
 
         except Exception as ex:
             print(ex.args)

pymatgen/io/vasp/tests/test_outputs.py

@@ -1025,35 +1025,34 @@ def test_read_lcalcpol(self):
 
         outcar.read_lcalcpol()
 
-        p_ion = [ 0.     ,  0.     , 19.70306]
-        p_elec = [ 4.02264,  4.02263, -4.08851]
-        p_sp1 = [ 2.01124,  2.01124, -2.04426]
-        p_sp2 = [ 2.01139,  2.01139, -2.04426]
+        p_ion = [0.0, 0.0, 19.70306]
+        p_elec = [4.02264, 4.02263, -4.08851]
+        p_sp1 = [2.01124, 2.01124, -2.04426]
+        p_sp2 = [2.01139, 2.01139, -2.04426]
 
         for i in range(3):
             self.assertAlmostEqual(outcar.p_ion[i], p_ion[i])
             self.assertAlmostEqual(outcar.p_elec[i], p_elec[i])
             self.assertAlmostEqual(outcar.p_sp1[i], p_sp1[i])
             self.assertAlmostEqual(outcar.p_sp2[i], p_sp2[i])
 
-        # outcar with |e| Angst units            
+        # outcar with |e| Angst units
         filepath = self.TEST_FILES_DIR / "outcar_vasp_6.3.gz"
         outcar = Outcar(filepath)
 
         outcar.read_lcalcpol()
 
-        p_ion = [-79.03374,  -0.     , -28.44354]
-        p_elec = [ 9.01127e+00, -1.00000e-05,  3.24308e+00]
-        p_sp1 = [4.50564, 0.     , 1.62154]
-        p_sp2 = [ 4.50563e+00, -1.00000e-05,  1.62154e+00]
+        p_ion = [-79.03374, -0.0, -28.44354]
+        p_elec = [9.01127e00, -1.00000e-05, 3.24308e00]
+        p_sp1 = [4.50564, 0.0, 1.62154]
+        p_sp2 = [4.50563e00, -1.00000e-05, 1.62154e00]
 
         for i in range(3):
             self.assertAlmostEqual(outcar.p_ion[i], p_ion[i])
             self.assertAlmostEqual(outcar.p_elec[i], p_elec[i])
             self.assertAlmostEqual(outcar.p_sp1[i], p_sp1[i])
             self.assertAlmostEqual(outcar.p_sp2[i], p_sp2[i])
 
-            
     def test_read_piezo_tensor(self):
         filepath = self.TEST_FILES_DIR / "OUTCAR.lepsilon.gz"
         outcar = Outcar(filepath)