def test_psi1(self):
rf = r_f(6)
orb0 = SphericalOrbital(0, rf)
orb1 = SphericalOrbital(1, rf)
r = np.linspace(0, 6, 333 * 3).reshape(-1, 3)
p0 = orb0.psi(r)
p1 = orb1.psi(r)
assert not np.allclose(p0, p1)
orb0 = SphericalOrbital(1, rf)
assert orb0.equal(orb1, radial=True, psi=True)
for m in range(orb0.l, orb0.l + 1):
p0 = orb0.psi(r, -1)
p1 = orb1.psi(r, -1)
assert np.allclose(p0, p1)
p0 = orb0.psi(r, -1)
p1 = orb1.psi(r, 1)
assert not np.allclose(p0, p1)
def test_same1(self):
rf = r_f(6)
o0 = SphericalOrbital(0, rf)
o1 = Orbital(5.0)
assert o0.equal(o1)
assert not o0.equal(Orbital(3.))