Lachlan,
You can get hold of the freely available CCSL code from your site and
compile programs tf112m etc for doing TOF neutron Reitveld fits with
magnetism too! Compiles with the free g77 compiler after some minor
changes. All code is there, I have compiled and run it on a PC and
presented the ensuing results at IUCR and ECNS, although only one person
seemed to notice.
It is the old ral code from about 1995. Does pattern simulation as well as
refinement.
Cheers,
Jon
On Mon, 20 Sep 1999, L. Cranswick wrote:
>
> Re: lack of any dedicated powder pattern calculation
> software that can handle TOF Flight neutrons:
>
> Are there any Time of Flight Neutron internet/web
> based links giving hints and code for programming
> TOF capability into Rietveld and Powder Pattern
> calculation software. It would be far easier to convince
> programmers to support this form of diffraction
> if some easy to get "example" code and hints could
> be made available.
>
> Something of the ilk of the Le Bail method page which
> has hints on where to insert changes into Rietveld
> code and some example Fortran for getting over some
> of the nuances that may result:
> http://www.ccp14.ac.uk/solution/lebail/
>
> (Telling programmers using the internet, who are not
> full or part time TOF users, to "read the book"
> could look like telling them to "go to hell" -
> especially as equations described in the literature
> may not be directly translatable into robust code)
>
> Lachlan.
>
> --
> Lachlan M. D. Cranswick
>
> Collaborative Computational Project No 14 (CCP14)
> for Single Crystal and Powder Diffraction
> Daresbury Laboratory, Warrington, WA4 4AD U.K
> Tel: +44-1925-603703 Fax: +44-1925-603124
> E-mail: [EMAIL PROTECTED] Ext: 3703 Room C14
> http://www.ccp14.ac.uk
>
>
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