Conjugate gradients minimizer

Carl Banks imbosol-1048652275 at
Wed Mar 26 05:34:04 CET 2003

Carl Banks wrote:
> So, unless you have reason to believe conjugate-gradient is specially
> suited to this problem (indeed, I have heard of an atomic structure
> problem that was like that), or if you plan to scale up to DNA
> crystals someday, use the BGFS method instead.
> BGFS is far more efficient than conjugate gradient for most systems.
> The only thing is, it requires inverting a matrix at every step, which
> you really don't want to do in Python.  It's also much more
> complicated.  But it solves almost everything faster.

Sorry, that should be BFGS.  Makes a difference when Googling.


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