Python code for Krikwood-Buff Integrals
-1
$begingroup$
I am writing a code for the Krikwood-Buff Integrals which has the formula as: https://i.stack.imgur.com/lMtie.png
import os
import numpy as np
import matplotlib
from matplotlib import pyplot as plt
A = np.loadtxt ('abc.dat')
B = open('1.dat','w')
r = A[:,0] #r is the 1st column (ie., x-axis values)
g = A[:,1] #g is the 2nd column (ie., y-axis column)
integrand = (g-1)*(r**2)
for i in range(len(r)):
B.write (str(r[i])+'t'+(str(integrand[i]))+'n')
integral = np.trapz(integrand[:-1],r[:-1])*4*np.pi
print 'The integral in the equation2 is ',str(integral)
But when i run this code, i get an increase in the 1st peak(which is wrong)[
],
when compared to the expected result image [
]
Any suggestions on how to improve this code..??
Thank you.
python
asked 7 mins ago
D.H.ND.H.N
11
New contributor
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
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add a comment |
-1
$begingroup$
I am writing a code for the Krikwood-Buff Integrals which has the formula as: https://i.stack.imgur.com/lMtie.png
import os
import numpy as np
import matplotlib
from matplotlib import pyplot as plt
A = np.loadtxt ('abc.dat')
B = open('1.dat','w')
r = A[:,0] #r is the 1st column (ie., x-axis values)
g = A[:,1] #g is the 2nd column (ie., y-axis column)
integrand = (g-1)*(r**2)
for i in range(len(r)):
B.write (str(r[i])+'t'+(str(integrand[i]))+'n')
integral = np.trapz(integrand[:-1],r[:-1])*4*np.pi
print 'The integral in the equation2 is ',str(integral)
But when i run this code, i get an increase in the 1st peak(which is wrong)[],
when compared to the expected result image []
Any suggestions on how to improve this code..??
Thank you.
python
asked 7 mins ago
D.H.ND.H.N
11
New contributor
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
Check out our Code of Conduct.
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Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
3 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
1 min ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
1 min ago
add a comment |
-1
-1
-1
$begingroup$
I am writing a code for the Krikwood-Buff Integrals which has the formula as: https://i.stack.imgur.com/lMtie.png
import os
import numpy as np
import matplotlib
from matplotlib import pyplot as plt
A = np.loadtxt ('abc.dat')
B = open('1.dat','w')
r = A[:,0] #r is the 1st column (ie., x-axis values)
g = A[:,1] #g is the 2nd column (ie., y-axis column)
integrand = (g-1)*(r**2)
for i in range(len(r)):
B.write (str(r[i])+'t'+(str(integrand[i]))+'n')
integral = np.trapz(integrand[:-1],r[:-1])*4*np.pi
print 'The integral in the equation2 is ',str(integral)
But when i run this code, i get an increase in the 1st peak(which is wrong)[],
when compared to the expected result image []
Any suggestions on how to improve this code..??
Thank you.
python
asked 7 mins ago
D.H.ND.H.N
11
New contributor
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
Check out our Code of Conduct.
$endgroup$
I am writing a code for the Krikwood-Buff Integrals which has the formula as: https://i.stack.imgur.com/lMtie.png
import os
import numpy as np
import matplotlib
from matplotlib import pyplot as plt
A = np.loadtxt ('abc.dat')
B = open('1.dat','w')
r = A[:,0] #r is the 1st column (ie., x-axis values)
g = A[:,1] #g is the 2nd column (ie., y-axis column)
integrand = (g-1)*(r**2)
for i in range(len(r)):
B.write (str(r[i])+'t'+(str(integrand[i]))+'n')
integral = np.trapz(integrand[:-1],r[:-1])*4*np.pi
print 'The integral in the equation2 is ',str(integral)
But when i run this code, i get an increase in the 1st peak(which is wrong)[],
when compared to the expected result image []
Any suggestions on how to improve this code..??
Thank you.
python
python
asked 7 mins ago
D.H.ND.H.N
11
New contributor
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
Check out our Code of Conduct.
asked 7 mins ago
D.H.ND.H.N
11
New contributor
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
Check out our Code of Conduct.
edited 2 mins ago
D.H.N
asked 7 mins ago
D.H.ND.H.N
11
New contributor
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
Check out our Code of Conduct.
asked 7 mins ago
D.H.ND.H.N
11
asked 7 mins ago
D.H.ND.H.N
11
11
New contributor
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
Check out our Code of Conduct.
New contributor
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
Check out our Code of Conduct.
D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
Check out our Code of Conduct.
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Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
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– 200_success
3 mins ago
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Yes, my code is working correctly.
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– D.H.N
1 min ago
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You just said that the results were wrong!
$endgroup$
– 200_success
1 min ago
add a comment |
$begingroup$
Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
3 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
1 min ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
1 min ago
$begingroup$
Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
3 mins ago
$begingroup$
Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
3 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
1 min ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
1 min ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
1 min ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
1 min ago
add a comment |
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Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
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– 200_success
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Yes, my code is working correctly.
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– D.H.N
1 min ago
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You just said that the results were wrong!
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– 200_success
1 min ago