From ddb845604bfb4457fc3d409ead9f610becd63352 Mon Sep 17 00:00:00 2001 From: Emanuel Gull Date: Fri, 5 Dec 2025 09:23:39 +0100 Subject: [PATCH 1/6] updating pythhon to python3 --- tutorials/tutorial1/gen_Uijkl.py | 29 +++++++++++++++-------------- 1 file changed, 15 insertions(+), 14 deletions(-) diff --git a/tutorials/tutorial1/gen_Uijkl.py b/tutorials/tutorial1/gen_Uijkl.py index 9b14149..4818a9d 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 +43,17 @@ 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() From ed404dd49ad79469020c2c79a8388b8095c068fd Mon Sep 17 00:00:00 2001 From: Emanuel Gull Date: Fri, 5 Dec 2025 09:29:20 +0100 Subject: [PATCH 2/6] upgrading gen_hyb script to python 3 --- tutorials/tutorial1/gen_hyb.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/tutorials/tutorial1/gen_hyb.py b/tutorials/tutorial1/gen_hyb.py index 20888b6..1426308 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() From 4b95e9d9409ea81153ebaec9b6bbda1a75ffa795 Mon Sep 17 00:00:00 2001 From: Emanuel Gull Date: Fri, 5 Dec 2025 09:31:02 +0100 Subject: [PATCH 3/6] updating gen_hopping to python3 --- tutorials/tutorial1/gen_hopping.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/tutorials/tutorial1/gen_hopping.py b/tutorials/tutorial1/gen_hopping.py index e394ff4..d518b7b 100644 --- a/tutorials/tutorial1/gen_hopping.py +++ b/tutorials/tutorial1/gen_hopping.py @@ -1,6 +1,6 @@ import sys import numpy as np -from scipy.integrate import simps +from scipy.integrate import simpson as simps from math import pi #Lambda = 1.0 @@ -19,12 +19,12 @@ [ 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() From d60b487bf0e925221697823494daa553a1194188 Mon Sep 17 00:00:00 2001 From: Emanuel Gull Date: Fri, 5 Dec 2025 09:32:24 +0100 Subject: [PATCH 4/6] Update tutorials/tutorial1/gen_Uijkl.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> --- tutorials/tutorial1/gen_Uijkl.py | 1 - 1 file changed, 1 deletion(-) diff --git a/tutorials/tutorial1/gen_Uijkl.py b/tutorials/tutorial1/gen_Uijkl.py index 4818a9d..0da2eff 100644 --- a/tutorials/tutorial1/gen_Uijkl.py +++ b/tutorials/tutorial1/gen_Uijkl.py @@ -44,7 +44,6 @@ def generate_U_tensor_SK(n_orb, U, JH): f = open("Uijkl.txt", "w") print(num_elem, file=f) - line = 0 for iorb1 in range(n_site): for iorb2 in range(n_site): From 2bca87381012ff3483f696f12829ab7a615852de Mon Sep 17 00:00:00 2001 From: Emanuel Gull Date: Fri, 5 Dec 2025 09:58:55 +0100 Subject: [PATCH 5/6] Update tutorials/tutorial1/gen_hyb.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> --- tutorials/tutorial1/gen_hyb.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tutorials/tutorial1/gen_hyb.py b/tutorials/tutorial1/gen_hyb.py index 1426308..7bfb1f0 100644 --- a/tutorials/tutorial1/gen_hyb.py +++ b/tutorials/tutorial1/gen_hyb.py @@ -50,5 +50,5 @@ def ft_to_tau_hyb(ndiv_tau, beta, matsubara_freq, tau, Vek, data_n, data_tau, cu if j==k: print(i, j, k, g_tau[i].real, g_tau[i].imag,file=f) else: - print(i, j, k, 0.0, 0.0,file=f) + print(i, j, k, 0.0, 0.0, file=f) f.close() From fbfa6208774de2acc49c3ca5bb86d02664677401 Mon Sep 17 00:00:00 2001 From: Emanuel Gull Date: Fri, 5 Dec 2025 09:59:09 +0100 Subject: [PATCH 6/6] Update tutorials/tutorial1/gen_hopping.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> --- tutorials/tutorial1/gen_hopping.py | 1 - 1 file changed, 1 deletion(-) diff --git a/tutorials/tutorial1/gen_hopping.py b/tutorials/tutorial1/gen_hopping.py index d518b7b..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 simpson as simps from math import pi #Lambda = 1.0