""" ii = 0 plt.figure() while ii <= numev: vec = evec[:, ii] nvec = slv.normalize(vec) nvec = float(scalingfactor) * nvec + ev[ii] plt.subplot(1, 2, 1) #first plot plt.plot(xx, pot) plt.title('Potential, eigenstates, Erw(x)') plt.plot(np.array(erw), ev, 'x', color='blue') plt.plot(xx, nvec) plt.xlabel('x[Bohr]') plt.ylabel('Energy[Hartree]') plt.plot(xx, np.zeros(nn + 1) + ev[ii], color='grey') plt.xlim(di.getxmin(), di.getxmax()) plt.ylim(float(llimit), float(ulimit)) ii += 1 plt.subplot(1, 2, 2) #second plot plt.plot(unschaerfe, ev, 'x', color='blue') plt.title('$\sigma_x$') plt.xlabel('x[Bohr]') plt.savefig("schroedinger.pdf") plotwavefunc(NUMEV, EIVE, di.readcalcpotential("potential.dat"), ERW, di.readcalceigenval("energies.dat"), di.readcalcxvalue("potential.dat"), N, UNSCHAERFE, ARGS.scale, ARGS.ulimit, ARGS.llimit)
def test_energies1(): """The function tests the energies """ refenergies1 = di.readcalceigenval('reference_files/energies1.dat') energies1 = di.readcalceigenval('testfiles/energietest1.dat') assert np.all(refenergies1-energies1 < 0.1)
def test_energies(): """The function tests the energies """ refenergies4 = di.readcalceigenval('reference_files/energies4.dat') energies4 = di.readcalceigenval('testfiles/energietest4.dat') assert np.all(refenergies4 - energies4 < 0.01)