diff --git a/tutorials/tutorial1/gen_Uijkl.py b/tutorials/tutorial1/gen_Uijkl.py index 9b14149..0da2eff 100644 --- a/tutorials/tutorial1/gen_Uijkl.py +++ b/tutorials/tutorial1/gen_Uijkl.py @@ -12,10 +12,10 @@ def generate_U_tensor_SK(n_orb, U, JH): U_tensor = np.zeros((n_orb,2,n_orb,2,n_orb,2,n_orb,2),dtype=complex) num_elem = 0 - for iorb1 in xrange(n_orb): - for iorb2 in xrange(n_orb): - for iorb3 in xrange(n_orb): - for iorb4 in xrange(n_orb): + for iorb1 in range(n_orb): + for iorb2 in range(n_orb): + for iorb3 in range(n_orb): + for iorb4 in range(n_orb): coeff = 0.0 if iorb1==iorb2 and iorb2==iorb3 and iorb3==iorb4: coeff = U @@ -26,8 +26,8 @@ def generate_U_tensor_SK(n_orb, U, JH): elif iorb1==iorb2 and iorb3==iorb4 and iorb1!=iorb3: coeff = JH - for isp in xrange(2): - for isp2 in xrange(2): + for isp in range(2): + for isp2 in range(2): U_tensor[iorb1,isp, iorb2,isp2, iorb3,isp2, iorb4,isp] += coeff if coeff != 0.0: num_elem += 1 @@ -43,16 +43,16 @@ def generate_U_tensor_SK(n_orb, U, JH): U_tensor, num_elem = generate_U_tensor_SK(n_site, Uval, Jval) f = open("Uijkl.txt", "w") -print >>f, num_elem +print(num_elem, file=f) line = 0 -for iorb1 in xrange(n_site): - for iorb2 in xrange(n_site): - for iorb3 in xrange(n_site): - for iorb4 in xrange(n_site): - for isp in xrange(2): - for isp2 in xrange(2): +for iorb1 in range(n_site): + for iorb2 in range(n_site): + for iorb3 in range(n_site): + for iorb4 in range(n_site): + for isp in range(2): + for isp2 in range(2): if U_tensor[iorb1,isp,iorb2,isp2,iorb3,isp2,iorb4,isp] != 0.0: - print >>f, line, " ", 2*iorb1+isp, 2*iorb2+isp2, 2*iorb3+isp2, 2*iorb4+isp, U_tensor[iorb1,isp,iorb2,isp2,iorb3,isp2,iorb4,isp].real, U_tensor[iorb1,isp,iorb2,isp2,iorb3,isp2,iorb4,isp].imag + print(line, " ", 2*iorb1+isp, 2*iorb2+isp2, 2*iorb3+isp2, 2*iorb4+isp, U_tensor[iorb1,isp,iorb2,isp2,iorb3,isp2,iorb4,isp].real, U_tensor[iorb1,isp,iorb2,isp2,iorb3,isp2,iorb4,isp].imag, file=f) line += 1 f.close() diff --git a/tutorials/tutorial1/gen_hopping.py b/tutorials/tutorial1/gen_hopping.py index e394ff4..91016c5 100644 --- a/tutorials/tutorial1/gen_hopping.py +++ b/tutorials/tutorial1/gen_hopping.py @@ -1,6 +1,5 @@ import sys import numpy as np -from scipy.integrate import simps from math import pi #Lambda = 1.0 @@ -19,12 +18,12 @@ [ 1, 0, 1J, 0, 0, 0]], dtype=complex) mu = 2.5*Uval-5*Jval -for flavor in xrange(nf): +for flavor in range(nf): Himp[flavor,flavor] -= mu f = open('hopping.txt','w') -for iorb in xrange(nf): - for jorb in xrange(nf): - print>>f, iorb, jorb, Himp[iorb,jorb].real, Himp[iorb,jorb].imag +for iorb in range(nf): + for jorb in range(nf): + print(iorb, jorb, Himp[iorb,jorb].real, Himp[iorb,jorb].imag, file=f) f.close() diff --git a/tutorials/tutorial1/gen_hyb.py b/tutorials/tutorial1/gen_hyb.py index 20888b6..7bfb1f0 100644 --- a/tutorials/tutorial1/gen_hyb.py +++ b/tutorials/tutorial1/gen_hyb.py @@ -1,5 +1,5 @@ import numpy as np -from scipy.integrate import simps +from scipy.integrate import simpson as simps from math import pi def ft_to_tau_hyb(ndiv_tau, beta, matsubara_freq, tau, Vek, data_n, data_tau, cutoff): @@ -48,7 +48,7 @@ def ft_to_tau_hyb(ndiv_tau, beta, matsubara_freq, tau, Vek, data_n, data_tau, cu for j in range(nf): for k in range(nf): if j==k: - print >>f, i, j, k, g_tau[i].real, g_tau[i].imag + print(i, j, k, g_tau[i].real, g_tau[i].imag,file=f) else: - print >>f, i, j, k, 0.0, 0.0 + print(i, j, k, 0.0, 0.0, file=f) f.close()