[Ifeffit] Demeter question and Larch

[Matt Newville]

Hi Chris,

On Wed, Mar 27, 2019 at 9:34 AM Christopher Patridge <patridge at buffalo.edu>
wrote:

> Thanks Matt,
>
> Is there a method in Larch GUI to create a difference spectrum between
> files?
>

Not in the current release version. One can always drop down to the
programming interface to do that.
But that's a fine thing to add.   I'm hoping to push another release in a
couple of weeks, and will try to include that option.



>  Thanks,
>
> Chris
>
> **********************************************
> Dr Christopher Patridge
> Assistant Professor
> Department of Chemistry
> SASE 315
> D’Youville College
> 320 Porter Ave.
> Buffalo, NY 14201
> 716-829-8096 / 315-529-0501
> patridgc at dyc.edu
>
>
>
> On Mar 27, 2019, at 9:08 AM, Matt Newville <newville at cars.uchicago.edu>
> wrote:
>
> Hi Chris,
>
> On Tue, Mar 26, 2019 at 1:57 PM Patridge, Christopher <patridgc at dyc.edu>
> wrote:
>
>> Hi everyone,
>>
>> A Demeter question - Is the memory limit hard set in Athena?
>>
>
> It is really set by the Ifeffit library, not by Athena itself.  It should
> be lifted if using Larch as a backend for Athena.  That *ought* to work in
> that simply by installing Larch, Demeter (latest version) *should* be able
> to find and use it.  I can believe that may not work perfectly, but if it
> is not working, let's try to figure out why.
>
>
>> I know that I can change the 50 dataset limit, but can I increase the
>> memory to handle more data as I have a relatively large set of spectra
>> (~150)?  I have installed and tested Larch, but I do not see an option to
>> run difference spectra in Larch GUI unless I missed something?
>>
>
> The Larch XAS Viewer app can definitely read in multiple spectra. It can
> also read data from Athena project files (well "modern" Athena project
> files), and write Athena project files.   This app tries very hard to be
> compatible with the functionality and concepts and terminology of Athena.
> There are some areas that I think might be noticeable improvements over
> Athena, especially a) the flexibility and robustness of pre-edge peak
> fitting, and b) the interactivity and customizability of the plotting
> window,  c) working on MacOSX, and d) no limits on memory.  There may be a
> few missing features compared to Athena, especially in that the docs are
> not sufficient.  But if you (or anyone else) notices any missing features
> or has questions about differences, or has any comments or suggestions,
> please let me know.
>
>  I am running windows virtualization (win 7 - 64 bit) Demeter if that
>> affects the memory question.
>>
>
> That should not be a problem unless you're pushing the amount of memory
> allocated for the virtual machine.
>
> --Matt
>
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--Matt
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