return vwall + vbar + voffset
Npoints = (2000, )
dr = (L[0] / (Npoints[0] - 1), )
Xs = [(-L[0] / 2 + i * dr[0]) for i in xrange(Npoints[0])]
Uext = np.zeros(Npoints)
for i, x in enumerate(Xs):
Uext[i, ] = vext((x, ))
fprint("output/uext", Uext, (Xs, ))
print "Uext saved in output"
b.prepareMatrices(vext, None)
qmech = q.qfr(b, vext, lamb)
tolerance = 1E-2
states = []
ens = qmech.Hdiag.tolist()
curr = ens[0]
avgen = curr
lidx = [0]
for ii, en in enumerate(ens[1:]):
if abs(curr - en) < tolerance:
lidx.append(ii + 1)
avgen = avgen + curr
else:
avgen = avgen / len(lidx)
states.append((avgen, tuple(lidx)))
avgen = en
namex = "x**2_eta" + bn
namey = "y**2_eta" + bn
namer = "r12**-1_eta" + bn
hp.loadFunc(namex, v1x, fdir="../../data/harmonic")
hp.loadFunc(namey, v1y, fdir="../../data/harmonic")
hp.compoundFunc("Uext", v1, [namex, namey], [wx**2, wy**2])
hp.loadFunc(namer, v2, Rw, fdir="../../data/harmonic")
basis = hm.bset(bpar, nlevs, npart, [(-10, 10), (-10, 10)], 10000, symmetry)
lamb = 0.5
if interaction == "On":
basis.prepareMatrices(v1, v2)
qmech = q.qfr(basis, v1, lamb, v2)
else:
basis.prepareMatrices(v1, v2)
qmech = q.qfr(basis, v1, lamb)
#psi0=qmech.U[:,0].tolist()
#psi1=qmech.U[:,1].tolist()
# from eigenvalues list regroup with degenerate states
# this is an array of tuples. Each tuple is (E_n, states), where
# states is a tuple of indices corresponding to the relative eigenstates.
# Since E_n are approximated we need to specify a tolerance for the definition of
# degenerate states (i.e. E_m = E_n). Note that E_n are already ordered.
tolerance = 1E-1
print basis.braket(1,1,lambda x : 1.0)
print basis.braket(2,2,lambda x : 1.0)
print basis.braket(3,3,lambda x : 1.0)
print basis.braket(4,4,lambda x : 1.0)
print basis.braket(5,5,lambda x : 1.0)
print "##### Second test #####"
qmech = q.qfr(basis, lambda x : 0.5*x*x + 0.1*x*x*x*x, lamb)
print "E0=",qmech.E0
print "PSI0=",qmech.PSI0
print "PSI1=",qmech.U[:,1]
print "#### Third test ####"
#qmech.settime(0.5)
beta=0.1
qmech.settemperature(beta)
fo = open("fdc.dat","w+")