From support@mathtrek.com Sat Oct 19 11:15:50 1996 Received: from granite.sentex.net for support@mathtrek.com by www.ccl.net (8.8.0/950822.1) id KAA10420; Sat, 19 Oct 1996 10:28:19 -0400 (EDT) Received: from p10.gallium.sentex.ca (p10.gallium.sentex.ca [199.212.134.26]) by granite.sentex.net (8.7.5/8.6.9) with SMTP id KAA09883; Sat, 19 Oct 1996 10:36:03 -0400 (EDT) Date: Sat, 19 Oct 1996 10:36:03 -0400 (EDT) Message-Id: <199610191436.KAA09883@granite.sentex.net> X-Sender: mathtrek@mathtrek.com X-Mailer: Windows Eudora Pro Version 2.1.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: , CHEMISTRY@www.ccl.net From: "William R. Smith" Subject: Re: CCL:curve fit? 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: support@mathtrek.com Guelph, Ontario CANADA N1G 4W4 Tel:519-763-1356, FAX:519-763-4525 http://www.mathtrek.com ********************************************************************* From bruno@antas.agraria.uniss.it Sat Oct 19 13:15:49 1996 Received: from ICINECA.CINECA.IT for bruno@antas.agraria.uniss.it by www.ccl.net (8.8.0/950822.1) id MAA11021; Sat, 19 Oct 1996 12:33:56 -0400 (EDT) Received: from cinymp.cineca.it by ICINECA.CINECA.IT (IBM VM SMTP V2R2) with TCP; Sat, 19 Oct 96 18:34:53 SOL Received: from antas.agraria.uniss.it by cinymp.cineca.it with SMTP (5.61/CRI-80.1) id AA45928; Sat, 19 Oct 96 18:28:13 +0200 Date: Sat, 19 Oct 1996 18:26:32 +0200 (DFT) From: "Dr. Bruno Manunza" To: lawson@argus.cem.msu.edu Cc: CHEMISTRY@www.ccl.net Subject: Re: CCL:curve fit? In-Reply-To: <199610181912.PAA01445@mulliken.cem.msu.edu> Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Fri, 18 Oct 1996 lawson@argus.cem.msu.edu 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. > 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: bruno@antas.agraria.uniss.it e-mail: bruno@tharros.dipchim.uniss.it e-mail: gx6bot81@cray.cineca.it