diff --git a/tests/test_abacus_spin.py b/tests/test_abacus_spin.py index 5a46ceea..4fcbc904 100644 --- a/tests/test_abacus_spin.py +++ b/tests/test_abacus_spin.py @@ -51,7 +51,7 @@ def test_scf(self): np.testing.assert_almost_equal( data["force_mags"], sys2.data["force_mags"], decimal=8 ) - + def test_scf_nspin2(self): os.system("cp abacus.spin/INPUT.scf.nspin2 abacus.spin/INPUT") mysys = dpdata.LabeledSystem("abacus.spin", fmt="abacus/scf") @@ -60,16 +60,16 @@ def test_scf_nspin2(self): np.testing.assert_almost_equal( data["spins"][0], [ - [0,0,2.4000001004], - [0,0,2.3999994597], + [0, 0, 2.4000001004], + [0, 0, 2.3999994597], ], decimal=8, ) np.testing.assert_almost_equal( data["force_mags"][0], [ - [0,0, -0.3669618965], - [0,0, -0.3669821632], + [0, 0, -0.3669618965], + [0, 0, -0.3669821632], ], decimal=8, ) @@ -85,7 +85,6 @@ def test_scf_nspin2(self): data["force_mags"], sys2.data["force_mags"], decimal=8 ) - def test_relax(self): os.system("cp abacus.spin/INPUT.relax abacus.spin/INPUT") mysys = dpdata.LabeledSystem("abacus.spin", fmt="abacus/relax")