Fitting parameters of a function
Volker Typke
Volker.Typke at rz.uni-ulm.de
Mon Jul 22 08:16:29 BST 2002
Jochen Küpper wrote:
>
> On Thu, 18 Jul 2002 16:44:10 +0200 Volker Typke wrote:
>
> Volker> how can I achieve to optimize a single parameter in a function
> Volker> which is used to define the geometry, e.g. of the form (with
> Volker> geometry type xyz)
>
> Volker> x y a*cos(b+c)
>
> Volker> Is it possible to optimize just a while keeping b and c fixed ?
>
> What's about soemthing like
> ,----
> | ...
> | optg
> | active,a
> | ...
> `----
>
> Greetings,
> Jochen
> --
> University of North Carolina phone: +1-919-962-4403
> Department of Chemistry phone: +1-919-962-1579
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> Chapel Hill, NC 27599, USA GnuPG key: 44BCCD8E
Hi,
I already tried this (and various variations of ACTIVE and INACTIVE). However,
as result I get the message:
Variable a specifed on ACTIVE card is not a geometry parameter
Are there other ways ?
Volker Typke
--
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* Dr. Volker Typke *
* University Computing Center *
* University of Ulm *
* Albert-Einstein-Allee 11 *
* D-89069 Ulm, Germany *
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* e-mail: volker.typke at rz.uni-ulm.de *
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