[CSC 335] NMR Part Deux

[Andrew J. Pounds]

Based on the progress made in the last 24 hours,  here is the change we 
are making to the NMR project part 2.

This will be an EXTRA CREDIT only exercise worth 50 points (the class 
point total drops to 850).

Your code should apply your DFT filter (filter type option 3 in nmr.in 
file) and Adaptive Quadrature (option 2 in nmr.in file). There is no 
need to specify the method of recovering the y array from the Fourier 
domain.   The preferred method is to use the inverse matrix as described 
in the project description - but feel free to use the direct linear 
algebra approach too.  Don't worry about attempting the Jacobe iterative 
approach.

I will be running you codes on spectra up to 8192 samples in length -- 
so please make sure that your programs can handle this.   To receive any 
extra credit your code has to be checked in to anvil no later than noon 
on Dec. 10th with a commit tag named "EC" and an issue raised for me to 
grade it.


-- 
*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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