Subject: Re: CCL:curve fit?

From: "William R. Smith" <[email-masked]>
Date: Sat, 19 Oct 1996 10:36:03 -0400 (EDT)

At 03:12 PM 10/18/96 -0400, you wrote:
>
>	Hello, 
> 		I am looking for a program (fortran or C) that will fit 
>	a function (Morse like or n-order polynomial) to data (potential 
>        curve).  Does anyone know of any free programs available.  I 
>        checked the net and could not readily locate anything.  I will 
>	summarize results. 

Some solutions (not "free", but the software may already be available to
you) under Windows are as follows:

If you have SigmaPlot (from Jandel Scientific), this contains built-in
regression analysis (linear and nonlinear).  This is a nice program for
professional-quality plotting that you might consider in that light alone.

If you want to fit polynomials (or any other expression that is linear in
the fitted parameters), that can be done easily with spreadsheets like
Excel, Lotus, Quattro, etc.).  Just use the Help facility to find the details.

Best regards, W. R. Smith

*********************************************************************
W. R. Smith, PhD, P. Eng.            Mathtrek Systems
Senior Scientist                     3-304 Stone Road West, Suite 165
EMail: [email-masked]          Guelph, Ontario CANADA N1G 4W4
Tel:519-763-1356, FAX:519-763-4525   http://www.mathtrek.com
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---

From: "Dr. Bruno Manunza" <[email-masked]>
Date: Sat, 19 Oct 1996 18:26:32 +0200 (DFT)

>         checked the net and could not readily locate anything.  I will 

	You may find useful the fortran routine 'bestfit' which is included 
as utility in the DLPOLY2 package. A Molecular Dynamics program from 
Daresbury (GB), free for academic users (licence agreement requested).
	The URL is: http://gserv1.dl.ac.uk/CCP/CCP5/dl_poly.html
You will find there any information you need in order to abtain the 
package or part of it.
	Regards

Bruno

Dr Bruno Manunza
DISAABA (Dept. of Agricultural Environm. Sci)
University of Sassari
V.le Italia 39
07100 Sassari, ITALY
phone: 39 79 229215
fax:   39 79 229276

e-mail: [email-masked]
e-mail: [email-masked]
e-mail: [email-masked]