Re: [Ifeffit] Other programs than FEFF - GNXAS and MXAN

2006-07-29 Thread Bruce Ravel
On Saturday 29 July 2006 17:24, you wrote: > 4) The formalism underlying GNXAS is very elegant and reading the original > papers is great. I suggest it is highly worth the effort. This is true. They are indeed very interesting papers. The physics or physical chemistry students reading this list

Re: [Ifeffit] Other programs than FEFF - GNXAS and MXAN

2006-07-29 Thread Bruce Ravel
On Saturday 29 July 2006 22:10, Matt Newville wrote: > > Yes, it's for smallish molecules.  Typical center-scatterer distances are > > <4-5A in the examples I've seen.  What 'other approaches' to XANES > > are publically available which work better than FEFF8.1? > > I wish I knew! I cannot speak t

Re: [Ifeffit] Other programs than FEFF - GNXAS and MXAN

2006-07-29 Thread Matt Newville
Hi Matthew, Including only bare-bones ASCII in/out is, IMHO, the only way to obtain true portability, and it has worked. I vaguely recall that they use some sort of verifier on their code to screen out system dependencies. I don't understand this. If it uses a g(r) approach, then I imagine

RE: [Ifeffit] Other programs than FEFF - GNXAS and MXAN

2006-07-29 Thread Federico Boscherini
Hello everyone, there seems to be an interesting exchange of ideas going on. Let me contribute a few ideas or bits of information: 1) I don't believe anybody holds the right to speak in the name of the "international community", whatever that means. The scientific process is rather complex a

Re: [Ifeffit] Other programs than FEFF - GNXAS and MXAN

2006-07-29 Thread Matthew Marcus
Feff deliberately did not include graphics or analysis, with the hope / expectation that lots of other people would do this. This turned out to be true, and very many analysis programs use Feff. It is perhaps interesting that this has not happened for GNXAS. In contrast, it is uninteresting fo

Re: [Ifeffit] mxan and gnxas

2006-07-29 Thread Matthew Marcus
Thanks. Do you mean that it's available as source-code only? Is there any tutorial material available? If it does background subtraction, does that mean you feed it raw signal-vs-energy files? mam - Original Message - From: "Francesco Giannici" <[EMAIL PROTECTED]> To: "ifeffit"

Re: [Ifeffit] Other programs than FEFF - GNXAS and MXAN

2006-07-29 Thread Matt Newville
Hi Matthew, One reason I can think of for GNXAS to be less popular than FEFF is that it hasn't been compiled for Windows. Oh, I think you're right. FEFF made a conscious effort to be portable, and easy to use. In John's defense of this approach, by aiming for a wide and diverse user base, bu

[Ifeffit] mxan and gnxas

2006-07-29 Thread Francesco Giannici
1. how to get mxan: as far as i know, mxan is available free of charge, although not ready for download. you should directly contact maurizio dot benfatto @ lnf dot infn dot it. caveat: the documentation is *very* short, and there is no interface, so here's another reason to keep in touch with t

Re: [Ifeffit] Other programs than FEFF - GNXAS and MXAN

2006-07-29 Thread Bruce Ravel
On Thursday 27 July 2006 14:22, Matthew Marcus wrote: > Other reasons for the popularity of FEFF include its longer history I believe that the early references for both GNXAS and Feff6 date from 1991. > That reminds me - I'm a co-author on a paper, which was submitted to PRL, in > which we used

Re: [Ifeffit] Other programs than FEFF - GNXAS and MXAN

2006-07-29 Thread Bruce Ravel
On Thursday 27 July 2006 14:22, Matthew Marcus wrote: > Other reasons for the popularity of FEFF include its longer history, Actually the early references for both GNXAS and FEFF6 date from 1991. To paraphrase Steve Zabinsky (the fellow who did much of the work on Feff6) "if you make it easy to

[Ifeffit] XAFS Analysis using Ifeffit

2006-07-29 Thread FARGES Francois
Dear all, to mam : your referee is a dumb, clearly ! feff8 can do both. One more quick and dirty referee. Some journals do money nowadays. Easy to answer there is an EXAFS card, which is not made for XANES, clearly... to all : gnxas is not designed to be easy to use; it is not designed as a "bla