basename = 'example'
filename = None
else:
filename = basename + '.dat'
(x,y) = pot.load_data(filename)
x_len = max(x)
# Solve for inital potential using bspline interpolation...
print "Solving kink nucleation problem with inital potential using bspline interp"
(xfine_interp, yfine_interp, sigma_p, zdiff, u_0, u_max, H_kp, Un, \
zdiff_kp, yderfine, sigma_b, sigma_p_index, kink_energy2) = kinker(x,y,G=60E9)
# Now do it again using a function...
(func, p0) = pot.choose_func(params=True)
# Fit this data to a sin function
print "Fitting initial potential to function"
opt_p = pot.fit_pot(p0, x, y, x_len, func)
# Initial solution with this function
(xfine_init, yfine, sigma_p, zdiff_init, u_0_init, u_max, H_kp, Un_init, \
zdiff_kp, yderfine_init, sigma_b_init, sigma_p_index, kink_energy2_init) = kinker(x,y,G=60E9,method=func,params=opt_p)
# Load experimental data
exptdata = raw_input("Expt data (input is basname.dat): ")
(T_n,expt_tau) = pot.load_data(exptdata)
# Convert from MPa to Pa and subtract tau_crit (15 MPa, T_crit is 500 K, handled in error func.)
tau_n = expt_tau*1E6
xmax_input = None
else:
xmax_input = float(xmax_input)
Na = 6.022E23 # Avagadro's number
# Load data set, x is the displacment (u) and y is the energy (U)
#(x,y) = load_data(None) # For test data
(x,y) = load_data(filename)
(xfine, yfine, sigma_p, zdiff, u_0, u_max, H_kp, Un, \
zdiff_kp, yderfine, sigma_b, sigma_p_index, kink_energy2) = kinker(x,y, maxx=xmax_input)
# Now do it again using a function...
func = pot.choose_func()
# Fit this data to a sin function
print "Fitting initial potential to sin function"
#p0 = [2.4E-10, 2.4E-10, 1, 2, 1, 2, 3, 4, 1, 2]
p0 = [2.4, 0.001, 0.001, 2.0, 2.0, 2.0]
opt_p = pot.fit_pot(p0, x, y, max(x), func)
# Initial solution with this function
(xfine_init, yfine, sigma_p, zdiff_init, u_0_init, u_max, H_kp, Un_init, \
zdiff_kp, yderfine_init, sigma_b_init, sigma_p_index, kink_energy2_init) = kinker(x,y,G=60E9,method=func,params=opt_p)
# Load experimental data
exptdata = raw_input("Expt data (input is basname.dat): ")
(T_n,expt_tau) = load_data(exptdata)