def test_get_initial_density_noninteracting(self): initial_density = scf.get_initial_density(self.states, 'noninteracting') self.assertEqual(initial_density.shape, (5, 100))
def test_get_initial_density_unknown(self): with self.assertRaisesRegex( ValueError, 'Unknown initialization method foo'): scf.get_initial_density(self.states, 'foo')
def test_get_initial_density_exact(self): np.testing.assert_allclose( scf.get_initial_density(self.states, 'exact'), self.states.density)