Conjugate gradients minimizer

[Bengt Richter]

On 25 Mar 2003 15:43:37 GMT, Andrew Walkingshaw <andrew-usenet at lexical.org.uk> wrote:

>Hi. Ages since I last posted to c.l.p, and this is a long shot, but here
>goes.
>
>Does anyone have a conjugate-gradients minimization routine (failing
>that, even a line-search-using-gradients algorithm would be extremely
>useful):
>
>a) in "pure" python (NumPy is *just about* OK for my purposes; C
>extensions aren't);
>
>b) under the Python/2-clause BSD/X11/public-domain/similar license.
>
>(this is as part of work I'm doing into a problem in materials physics,
>and I intend to release the code I'm working on under a Free Software
>license at some point[1] - but depending on your perception, it could be
>construed to be linking to non-free software, and I have neither the time
>or inclination to get into a license war right now. Commercial
>exploitation, however, is right out.)
>
>... which I could either adapt or even just *read*? I've looked at
>Numerical Methods in C, and though it makes the algorithms pretty clear,
>it's so unPythonic it sets my teeth on edge. 
>

>Many thanks,
>Andrew
>
>(The subject email address *is* real, but is read infrequently. Trim
>the obvious extension for quicker replies...)
>
>[1] http://www.lexical.org.uk/created/anarcryst-latest.tar.gz is some
>of my other code: it won't be interesting unless you really need
>autogenerated disordered crystalline structures, but it *is* GPL. :)
>

http://www.google.com/search?hl=en&lr=&ie=ISO-8859-1&q=python+conjugate+gradient

Regards,
Bengt Richter