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updating python to python3 #23

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ddb8456
updating pythhon to python3
egull Dec 5, 2025
ed404dd
upgrading gen_hyb script to python 3
egull Dec 5, 2025
4b95e9d
updating gen_hopping to python3
egull Dec 5, 2025
d60b487
Update tutorials/tutorial1/gen_Uijkl.py
egull Dec 5, 2025
2bca873
Update tutorials/tutorial1/gen_hyb.py
egull Dec 5, 2025
fbfa620
Update tutorials/tutorial1/gen_hopping.py
egull Dec 5, 2025
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28 changes: 14 additions & 14 deletions tutorials/tutorial1/gen_Uijkl.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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
Expand All @@ -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()
9 changes: 4 additions & 5 deletions tutorials/tutorial1/gen_hopping.py
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Original file line number Diff line number Diff line change
@@ -1,6 +1,5 @@
import sys
import numpy as np
from scipy.integrate import simps
from math import pi

#Lambda = 1.0
Expand All @@ -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()

6 changes: 3 additions & 3 deletions tutorials/tutorial1/gen_hyb.py
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Original file line number Diff line number Diff line change
@@ -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):
Expand Down Expand Up @@ -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)
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Copilot AI Dec 5, 2025

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Missing space before file=f parameter. Should be print(i, j, k, g_tau[i].real, g_tau[i].imag, file=f) with a space after the comma preceding file=f for consistency with PEP 8 style guidelines.

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else:
print >>f, i, j, k, 0.0, 0.0
print(i, j, k, 0.0, 0.0, file=f)
f.close()