I wrote a script to do following task.
For each number that is created using range(0,100), I created xyz coordinates to generate guess structures for my calculations. The structure of the script is as follow.
for numPoints in range(0, 101):
#do something to create x0, y0 and cons0 (xyz coordinates for a molecule)
np.savetxt(fname_template.format(i=numPoints), np.c_[x0,y0,cons0],delimiter=' ',fmt='%10f')
This solved my problem.
I got this idea from following post in stack overflow.
fname_template = "Subarray.{i}.txt"
for i, sarr in enumerate(sub_arr):
np.savetxt(fname_template.format(i=i), sarr, fmt='%s')
To create the file name I've used the new string formatting. Otherwise you can concatenate strings with + as "Subarray."+str(i)+".txt", but you have to make sure that all the elements that you concatenate are strings.
For each number that is created using range(0,100), I created xyz coordinates to generate guess structures for my calculations. The structure of the script is as follow.
for numPoints in range(0, 101):
#do something to create x0, y0 and cons0 (xyz coordinates for a molecule)
np.savetxt(fname_template.format(i=numPoints), np.c_[x0,y0,cons0],delimiter=' ',fmt='%10f')
This solved my problem.
I got this idea from following post in stack overflow.
fname_template = "Subarray.{i}.txt"
for i, sarr in enumerate(sub_arr):
np.savetxt(fname_template.format(i=i), sarr, fmt='%s')
To create the file name I've used the new string formatting. Otherwise you can concatenate strings with + as "Subarray."+str(i)+".txt", but you have to make sure that all the elements that you concatenate are strings.
