[CSC 335] Tridiagonal Solvers

[Andrew J. Pounds]

So I know some of you are working on Homework 3 and the NMR project -- 
and you are getting to that part where you have to start computing the 
cubic splines.  I encourage you to do the homework first -- get your 
code working on those smaller problems, and then move to the project.

For both the natural and clamped cubic spline your text provides 
pseudocode (Algorithms 3.4 and 3.5).  If you look closely at those 
algorithms the notes tell you that portions of the algorithm are solving 
a tridiagonal linear system using a matrix algorithm from Chapter 6.  
  You will be fine using the algorithms as they are written, but some of 
you asked me about using math/linear algebra libraries for this process.

For those that want to try this, I have examples of  how to use three 
math libraries: LAPACK (Fortran), GSL (C), and Armadillo (C++).   You 
will find the example code in the EXAMPLES section of the 
https://theochem.mercer.edu/csc335 web page.  Cobra was missing the 
include files for Armadillo, but I fixed that.

You will find compilation instructions inside all three of the code 
sources.  I just tested all three on cobra and they work perfectly.   If 
you need to get more information about these libraries work I have links 
to the documentation in the REFERENCE section of 
https://theochem.mercer.edu/csc335.


-- 
*/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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