[gmx-developers] Windows64 builds and gsl linking

[Erik Marklund]

21 feb 2012 kl. 22.23 skrev Mirco Wahab:

> Am 21.02.2012 21:45, schrieb Erik Marklund:
>> Hi,
>> 
>> The plan is to remove those GSL dependencies. The question is when it'll
>> actually happen.
> 
> Good to know! But what is Gsl currently used for?
> 
> Gsl would allow, e.g. cluster shape analysis within the
> cluster analysis (through its eigenvector module), I
> already implemented this some time ago in own programs
> with Gsl and expected Gsl to have some "important task" ...
> 

Non-linear fitting of functions to ACF data, and possibly other things. A Levenberg-Marquardt solver and a Neider-Mead Simplex method is used if I recall correctly.

> 
> Thanks,
> 
> M.
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html

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