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 10 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.
$endgroup$
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 10 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.
$endgroup$
$begingroup$
Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
6 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
5 mins ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
4 mins ago
$begingroup$
yes, I meant w.r.t the 1st peak.(i should get a small peak, but there is a higher value of the peak.) So how do i optimize it..?? I have written the code according to the equation.
$endgroup$
– D.H.N
2 mins 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 10 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 10 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 10 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 6 mins ago
D.H.N
asked 10 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 10 mins ago
D.H.ND.H.N
11
asked 10 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.
$begingroup$
Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
6 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
5 mins ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
4 mins ago
$begingroup$
yes, I meant w.r.t the 1st peak.(i should get a small peak, but there is a higher value of the peak.) So how do i optimize it..?? I have written the code according to the equation.
$endgroup$
– D.H.N
2 mins 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
6 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
5 mins ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
4 mins ago
$begingroup$
yes, I meant w.r.t the 1st peak.(i should get a small peak, but there is a higher value of the peak.) So how do i optimize it..?? I have written the code according to the equation.
$endgroup$
– D.H.N
2 mins ago
$begingroup$
Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
6 mins ago
$begingroup$
Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
6 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
5 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
5 mins ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
4 mins ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
4 mins ago
$begingroup$
yes, I meant w.r.t the 1st peak.(i should get a small peak, but there is a higher value of the peak.) So how do i optimize it..?? I have written the code according to the equation.
$endgroup$
– D.H.N
2 mins ago
$begingroup$
yes, I meant w.r.t the 1st peak.(i should get a small peak, but there is a higher value of the peak.) So how do i optimize it..?? I have written the code according to the equation.
$endgroup$
– D.H.N
2 mins ago
add a comment |
0
active
oldest
votes
Your Answer
StackExchange.ifUsing("editor", function () {
return StackExchange.using("mathjaxEditing", function () {
StackExchange.MarkdownEditor.creationCallbacks.add(function (editor, postfix) {
StackExchange.mathjaxEditing.prepareWmdForMathJax(editor, postfix, [["\$", "\$"]]);
});
});
}, "mathjax-editing");
StackExchange.ifUsing("editor", function () {
StackExchange.using("externalEditor", function () {
StackExchange.using("snippets", function () {
StackExchange.snippets.init();
});
});
}, "code-snippets");
StackExchange.ready(function() {
var channelOptions = {
tags: "".split(" "),
id: "196"
};
initTagRenderer("".split(" "), "".split(" "), channelOptions);
StackExchange.using("externalEditor", function() {
// Have to fire editor after snippets, if snippets enabled
if (StackExchange.settings.snippets.snippetsEnabled) {
StackExchange.using("snippets", function() {
createEditor();
});
}
else {
createEditor();
}
});
function createEditor() {
StackExchange.prepareEditor({
heartbeatType: 'answer',
autoActivateHeartbeat: false,
convertImagesToLinks: false,
noModals: true,
showLowRepImageUploadWarning: true,
reputationToPostImages: null,
bindNavPrevention: true,
postfix: "",
imageUploader: {
brandingHtml: "Powered by u003ca class="icon-imgur-white" href="https://imgur.com/"u003eu003c/au003e",
contentPolicyHtml: "User contributions licensed under u003ca href="https://creativecommons.org/licenses/by-sa/3.0/"u003ecc by-sa 3.0 with attribution requiredu003c/au003e u003ca href="https://stackoverflow.com/legal/content-policy"u003e(content policy)u003c/au003e",
allowUrls: true
},
onDemand: true,
discardSelector: ".discard-answer"
,immediatelyShowMarkdownHelp:true
});
}
});
D.H.N is a new contributor. Be nice, and check out our Code of Conduct.
draft saved
draft discarded
Sign up or log in
StackExchange.ready(function () {
StackExchange.helpers.onClickDraftSave('#login-link');
});
Sign up using Google
Sign up using Facebook
Sign up using Email and Password
Post as a guest
Required, but never shown
StackExchange.ready(
function () {
StackExchange.openid.initPostLogin('.new-post-login', 'https%3a%2f%2fcodereview.stackexchange.com%2fquestions%2f212191%2fpython-code-for-krikwood-buff-integrals%23new-answer', 'question_page');
}
);
Post as a guest
Required, but never shown
0
active
oldest
votes
0
active
oldest
votes
active
oldest
votes
active
oldest
votes
D.H.N is a new contributor. Be nice, and check out our Code of Conduct.
draft saved
draft discarded
D.H.N is a new contributor. Be nice, and check out our Code of Conduct.
D.H.N is a new contributor. Be nice, and check out our Code of Conduct.
D.H.N is a new contributor. Be nice, and check out our Code of Conduct.
Thanks for contributing an answer to Code Review Stack Exchange!
- Please be sure to answer the question. Provide details and share your research!
But avoid …
- Asking for help, clarification, or responding to other answers.
- Making statements based on opinion; back them up with references or personal experience.
Use MathJax to format equations. MathJax reference.
To learn more, see our tips on writing great answers.
draft saved
draft discarded
Sign up or log in
StackExchange.ready(function () {
StackExchange.helpers.onClickDraftSave('#login-link');
});
Sign up using Google
Sign up using Facebook
Sign up using Email and Password
Post as a guest
Required, but never shown
StackExchange.ready(
function () {
StackExchange.openid.initPostLogin('.new-post-login', 'https%3a%2f%2fcodereview.stackexchange.com%2fquestions%2f212191%2fpython-code-for-krikwood-buff-integrals%23new-answer', 'question_page');
}
);
Post as a guest
Required, but never shown
Sign up or log in
StackExchange.ready(function () {
StackExchange.helpers.onClickDraftSave('#login-link');
});
Sign up using Google
Sign up using Facebook
Sign up using Email and Password
Post as a guest
Required, but never shown
Sign up or log in
StackExchange.ready(function () {
StackExchange.helpers.onClickDraftSave('#login-link');
});
Sign up using Google
Sign up using Facebook
Sign up using Email and Password
Post as a guest
Required, but never shown
Sign up or log in
StackExchange.ready(function () {
StackExchange.helpers.onClickDraftSave('#login-link');
});
Sign up using Google
Sign up using Facebook
Sign up using Email and Password
Sign up using Google
Sign up using Facebook
Sign up using Email and Password
Post as a guest
Required, but never shown
Required, but never shown
Required, but never shown
Required, but never shown
Required, but never shown
Required, but never shown
Required, but never shown
Required, but never shown
Required, but never shown
$begingroup$
Welcome to Code Review. Your code must work correctly before we can review it. See the help center.
$endgroup$
– 200_success
6 mins ago
$begingroup$
Yes, my code is working correctly.
$endgroup$
– D.H.N
5 mins ago
$begingroup$
You just said that the results were wrong!
$endgroup$
– 200_success
4 mins ago
$begingroup$
yes, I meant w.r.t the 1st peak.(i should get a small peak, but there is a higher value of the peak.) So how do i optimize it..?? I have written the code according to the equation.
$endgroup$
– D.H.N
2 mins ago