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Conjugate Gradient Minimizer difficulties.
- From: Britt Park <britt at sciencething dot org>
- To: <gsl-discuss at sources dot redhat dot com>
- Date: Tue, 28 May 2002 19:38:37 -0700
- Subject: Conjugate Gradient Minimizer difficulties.
First apologies in advance if this turns out to be a stupid
question/comment.
I've been trying to use Fletcher/Reeves and Polak/Ribierre conjugate
gradient minimization in my molecular mechanics code. Both work well up to
about 100 to 200 iteration on a box of water molecules, and then seem to go
into an endless loop. Steepest descent works well and has never choked.
I've checked my derivatives numerically and they are correct. Any help (as
to parameters or anything else) would be most appreciated.
Regards,
Britt Park