Re: [Ifeffit] How to use Artemis with feff85L

2018-01-12 Thread Bruce Ravel
Jose, I am unclear what you are sad about. The version of Feff has little to do with the quality of the analysis. See our recent paper: https://doi.org/10.1107/S1600577517011651 It is true that feff8l would simplify and streamline the code, making it easier to write and maintain. That'

Re: [Ifeffit] How to use Artemis with feff85L

2018-01-12 Thread Bruce Ravel
Yes. But I am pretty busy these with my new beamline. "Beamline scientist" is my actual job. "Software guy" is a side project. So the software work gets done when it gets done. B On 01/12/2018 05:25 AM, José Carlos Conesa wrote: Dear Bruce, Do you foresee that (in a not far future) Ar

Re: [Ifeffit] How to use Artemis with feff85L

2017-09-14 Thread Matt Newville
Hi Jose, On Thu, Sep 14, 2017 at 3:54 PM, José C. Conesa wrote: > Hi Matt, > > Some comments (hopefully final): > > 1-A Windows version of feff85L (called FEFF8-Lite) is freely available, > with some other codes, at > > http://leonardo.phys.washington.edu/feff/Bin-Source- > feff8Lite/Bin-Source.

Re: [Ifeffit] How to use Artemis with feff85L

2017-09-14 Thread José C. Conesa
Hi Matt, Some comments (hopefully final): 1-A Windows version of feff85L (called FEFF8-Lite) is freely available, with some other codes, at http://leonardo.phys.washington.edu/feff/Bin-Source-feff8Lite/Bin-Source.html One can also find the feff85L.f source code in other places. 2-Being able

Re: [Ifeffit] How to use Artemis with feff85L

2017-09-14 Thread Matt Newville
Hi Jose, On Thu, Sep 14, 2017 at 2:32 AM, José C. Conesa wrote: > Hi, > > Well, the information on this was somewhat confusing. Thus: > > 1-In the main Artemis window, after importing a .cif file to do a Feff > calculation, the Atoms tab includes in the Export button the possibility of > genera

Re: [Ifeffit] How to use Artemis with feff85L

2017-09-14 Thread José C. Conesa
Hi, Well, the information on this was somewhat confusing. Thus: 1-In the main Artemis window, after importing a .cif file to do a Feff calculation, the Atoms tab includes in the Export button the possibility of generating a .inp file with feff8 format; this is mentioned as well in the corresp

Re: [Ifeffit] How to use Artemis with feff85L

2017-09-13 Thread Bruce Ravel
On 09/13/2017 09:35 PM, Matt Newville wrote: Then again, maybe Demeter does come with a working feff8l, and I just wasn't aware of it. Not yet. :( B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group

Re: [Ifeffit] How to use Artemis with feff85L

2017-09-13 Thread Matt Newville
Hi Jose, On Tue, Sep 12, 2017 at 11:54 AM, José Carlos Conesa wrote: > Hi, > > I should like to use feff85L within Artemis (from Demeter 0.9.25), just to > check in my system whether selfconsistency has a role in unifying E0 values > (with feff 6, allowing different E0 for each scatterer leads