Re: [potfit-users] Using splines for fitting on POTFIT

[Peter B. <p.b...@wa...>]

Hi Alberto,

I think the information you are looking for is contained within the pages https://www.potfit.net/wiki/doku.php?id=potfiles:main and subpages (on Format 3 and Format 4 - the example file might also be helpful). There is not much to control in spline interpolation. The abscissa of your interpolation points is not changed by potfit, so that is within your control (either equidistant in format 3, or non-equidistant in format 4). The other choice you have to make is whether to have natural splines (zero curvature at the edges or specified gradient at the edges), which is controlled via the #G header line. Other than that, potfit uses a simple cubic spline interpolation, which to my knowledge does not have any further parameters. 

Hope that helps,

Peter


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> On 1 Mar 2021, at 21:51, Alberto Hernandez <7al...@gm...> wrote:
> 
> Dear Professor Brommer,
> 
> I would like to optimize models with POTFIT using splines. Is there a way to control the settings of the spline interpolation? I found this page on the POTFIT website:
> https://www.potfit.net/wiki/doku.php?id=models:analytic_functions <https://www.potfit.net/wiki/doku.php?id=models:analytic_functions>
> 
> Is there a similar page for reading about how to use spline interpolation in POTFIT?
> 
> 
> Thanks,
> Alberto
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