Hi Ian, I just uploaded trial installers. Links can be found at http://bruceravel.github.io/demeter/#windows I am pretty sure that the plotting issue is resolved and that you can configure the programs to use the wxt terminal everytime. I found and solved /a/ problem with fitting. Whether I found and solved /your/ is something you'll have to tell me :) I was able to replicate something quite similar to what you described. I believe that my comment about it being a problem with quick first shell paths was incorrect and that my suggested work-around was a red herring. That is, I suspect you will see exactly the same problem with my "work-around". If the thing I fixed is the same issue that you are seeing, the fit is not retroactive. That is, I cannot fix the history in an existing project file. But I think your next project file will work as you expect. Give the new installer a try and let me know if you think it is working. And thanks, as always, for the bug reports. (Although the fitting problem was a seriously tough one!) B On 08/04/2015 11:46 AM, Godfrey, Ian wrote:
I'll look into it. Since your description isn't exactly a recipe, I am going to have to do some testing to try to find the problem.
Sorry. I've never encountered (or at least noticed) it before so I'm not sure exactly what it takes to reproduce it. Probably I should have taken a bit more time to investigate before reporting it.
Perhaps the easiest work-around would be to not use the quick first shell tool. For the Au-Au parts of the fit, using the crystal structure for the pure metal is simple. For the Au-Ag, Ag-Au, and Au-Cl parts, it should be fairly simple to make a feff.inp file. For the mixed metal parts, try replacing the entire first shell with the other metal. For Au-Cl, try this: http://www.crystallography.net/cod/1510088.html
Thanks for the work around.
Ian
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-- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 535A Upton NY, 11973 Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/