Re: [Ifeffit] Demeter question and Larch

Hi Chris, On Wed, Mar 27, 2019 at 9:34 AM Christopher Patridge 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@dyc.edu

On Mar 27, 2019, at 9:08 AM, Matt Newville wrote:

Hi Chris,

On Tue, Mar 26, 2019 at 1:57 PM Patridge, Christopher 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