コード例 #1
0
 def test_poschl_teller(self, lam, a, center):
     grids = np.linspace(-10, 10, 1001)
     vp = single_electron.poschl_teller(grids, lam, a, center)
     # Potential should have same shape with grids.
     self.assertTrue(vp.shape, grids.shape)
     # Potential should be zero at two ends of the grids.
     self.assertAlmostEqual(vp[0], 0)
     self.assertAlmostEqual(vp[-1], 0)
     # Minimum of the potential at x=center.
     self.assertAlmostEqual(grids[np.argmin(vp)], center)
コード例 #2
0
 def test_poschl_teller_invalid_lam(self):
     with self.assertRaisesRegexp(
             ValueError, 'lam is expected to be positive but got -1.50'):
         single_electron.poschl_teller(np.linspace(-10, 10, 1001), lam=-1.5)