Wanted: Fast Diagonalization Routine
I am wondering if anyone knows of any references to or sources for
fast algorithms or routines for diagonalization (i.e.
finding the eigenvalues and eigenvectors) of a symmetric matrix.
If the source codes are available, FORTRAN code would be preferable, but C
would work if that's all that is available.
The problem I am using this for consists of finding stationary points
(specifically saddle points) on the 3*N-dimensional Cartesian potential
surface for a system of N particles interacting via pairwise interactions.
The matrix in question is the Hessian second-derivative matrix (symmetric,
real, and non-sparse).
Any references or suggestions would be greatly appreciated!
Please send your responses directly by e-mail.
Keith Ball
Dept. of Physics
Univ. of Chicago
kdb-0at0-cloister.uchicago.edu