Python code for Krikwood-Buff Integrals
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I am writing a code for the Krikwood-Buff Integrals
which has the formula as:
and the code is:
A=open ('abc.dat','r')
C=open('def.dat','r')
D=open('ghi','w+')
f=4*pi
for row, col in izip (C, A):
cols=col.strip().split()
if(float(row)!=0):
x2 = ((float(cols[0])**2)*(float(row)-1))
print(integrate.quad(x2, 0, 4))
D.write(cols[0] + 't' + (float(f)*(integrate.quad(x2,0,np.inf))))
D.close()
C.close()
A.close()
But i get the following error as:
D.write(cols[0] + 't' + (float(f)*(integrate.quad(x2,0,np.inf))))
File "/usr/lib/python2.7/dist-packages/scipy/integrate/quadpack.py", line 316, in quad points)
File "/usr/lib/python2.7/dist-packages/scipy/integrate/quadpack.py", line 383, in _quad return _quadpack._qagie (func,bound,infbounds,args,full_output,epsabs,epsrel,limit)
quadpack.error: quad: first argument is not callable
[Finished in 0.1s with exit code 1]
Any suggestions are highly appreciated.
Thank you.
python
asked 5 mins ago
D.H.N
11
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D.H.N is a new contributor to this site. Take care in asking for clarification, commenting, and answering.
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up vote
0
down vote
favorite
I am writing a code for the Krikwood-Buff Integrals
which has the formula as:
and the code is:
A=open ('abc.dat','r')
C=open('def.dat','r')
D=open('ghi','w+')
f=4*pi
for row, col in izip (C, A):
cols=col.strip().split()
if(float(row)!=0):
x2 = ((float(cols[0])**2)*(float(row)-1))
print(integrate.quad(x2, 0, 4))
D.write(cols[0] + 't' + (float(f)*(integrate.quad(x2,0,np.inf))))
D.close()
C.close()
A.close()
But i get the following error as:
D.write(cols[0] + 't' + (float(f)*(integrate.quad(x2,0,np.inf))))
File "/usr/lib/python2.7/dist-packages/scipy/integrate/quadpack.py", line 316, in quad points)
File "/usr/lib/python2.7/dist-packages/scipy/integrate/quadpack.py", line 383, in _quad return _quadpack._qagie (func,bound,infbounds,args,full_output,epsabs,epsrel,limit)
quadpack.error: quad: first argument is not callable
[Finished in 0.1s with exit code 1]
Any suggestions are highly appreciated.
Thank you.
python
asked 5 mins ago
D.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.
add a comment |
up vote
0
down vote
favorite
up vote
0
down vote
favorite
I am writing a code for the Krikwood-Buff Integrals
which has the formula as:
and the code is:
A=open ('abc.dat','r')
C=open('def.dat','r')
D=open('ghi','w+')
f=4*pi
for row, col in izip (C, A):
cols=col.strip().split()
if(float(row)!=0):
x2 = ((float(cols[0])**2)*(float(row)-1))
print(integrate.quad(x2, 0, 4))
D.write(cols[0] + 't' + (float(f)*(integrate.quad(x2,0,np.inf))))
D.close()
C.close()
A.close()
But i get the following error as:
D.write(cols[0] + 't' + (float(f)*(integrate.quad(x2,0,np.inf))))
File "/usr/lib/python2.7/dist-packages/scipy/integrate/quadpack.py", line 316, in quad points)
File "/usr/lib/python2.7/dist-packages/scipy/integrate/quadpack.py", line 383, in _quad return _quadpack._qagie (func,bound,infbounds,args,full_output,epsabs,epsrel,limit)
quadpack.error: quad: first argument is not callable
[Finished in 0.1s with exit code 1]
Any suggestions are highly appreciated.
Thank you.
python
asked 5 mins ago
D.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.
I am writing a code for the Krikwood-Buff Integrals
which has the formula as:
and the code is:
A=open ('abc.dat','r')
C=open('def.dat','r')
D=open('ghi','w+')
f=4*pi
for row, col in izip (C, A):
cols=col.strip().split()
if(float(row)!=0):
x2 = ((float(cols[0])**2)*(float(row)-1))
print(integrate.quad(x2, 0, 4))
D.write(cols[0] + 't' + (float(f)*(integrate.quad(x2,0,np.inf))))
D.close()
C.close()
A.close()
But i get the following error as:
D.write(cols[0] + 't' + (float(f)*(integrate.quad(x2,0,np.inf))))
File "/usr/lib/python2.7/dist-packages/scipy/integrate/quadpack.py", line 316, in quad points)
File "/usr/lib/python2.7/dist-packages/scipy/integrate/quadpack.py", line 383, in _quad return _quadpack._qagie (func,bound,infbounds,args,full_output,epsabs,epsrel,limit)
quadpack.error: quad: first argument is not callable
[Finished in 0.1s with exit code 1]
Any suggestions are highly appreciated.
Thank you.
python
python
asked 5 mins ago
D.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 5 mins ago
D.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 5 mins ago
D.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 5 mins ago
D.H.N
11
asked 5 mins ago
D.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.
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