[CHM 330] Common mistake...

Andrew J. Pounds pounds_aj at mercer.edu
Thu Nov 2 07:38:43 EDT 2023


One common mistake I have seen at least twice now on the project relates 
to when you modify the code to produce the graphs.  When you add

  if ( t >= 0.5 and t < 0.5+h):

   rate = -(sArray[len(sArray)-1] - sArray[len(sArray)-2]) / h
   print (str(t) + " " + str(rate))

to your code  you need to make sure that you use SPACES (from the 
spacebar) and not TABS to indent. Python interprets tabs and spaces 
differently and indentation is what is used to structure the control 
structures in python programs.   That means that the "i" in "if" needs 
to be directly under and in the same column as the first "e" in "esArray 
= np.append(esArray,[es])" from the previous line.

If you make these changes and still don't get the printed time/rate 
information, please contact me.  I would really like to get all of this 
resolved before class tomorrow.

-- 
*/Andrew J. Pounds, Ph.D./*
/Professor of Chemistry and Computer Science/
/Director of the Computational Science Program/
/Mercer University, Macon, GA 31207 (478) 301-5627/
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