[Ifeffit] Bug report for Artemis 0.8.000

[Bruce Ravel]

> After a break I just started to use Artemis again and I am delighted about
> the new features, especially the ability to store and compare subsequent
> fits in one file.

Thanks for the kind words ;-)

> - If one opens by mistake an input file that is unknown to Artemis (or
> Athena) this file will be destroyed and cut to about 4kB.
> Workaround: Just DON'T do this (or keep regular backups).

Yikes!  I'll try to reproduce this.  That is *very* *bad* behavior!

> - Funny things happen when one studies an atoms/feff calculation without
> having loaded an experiment file: I imported an atoms.inp, ran atoms and
> feff and did two summations (Sum | All included paths ..). For the first
> summation I included only the first path, for the second summation only
> the second path. The first summation seems fine, for the second summation
> Artemis obviously includes both paths. In subsequent summations this
> effect will continue: all paths used in the past are considered plus the
> paths currently included.
> Workaround: Load a 'dummy'-chi file even for just making summations.

Drat!  I thought I had that working correctly.  Again, I'll try to
reproduce this myself.  I'll contact you if I need more info.

> I was teaching the use of Artemis to a few colleagues. I recommend them to
> keep a copy of their atoms.inp-files at a separate place for re-use in
> later projects.

Soon I am going to start working an an ability to merge project
files.  That will allow you to import a feff calculation, all its
paths, and all the math expressions for the path from one project into
another.  Your advice will ramin good edvice, but this merging
capability will obviate its need somewhat.

> If time permits maybe you could account for these issues:
> - If saving an atoms.inp file via Theory | Write special output | atoms
> the name 'artemis.stuff' will be provided. Is it possible to change that
> to 'atoms.inp'?

Sure.

> - The link to TKAtoms is missing for newly installed systems.

That's true.  TkAtoms was my first effort at writing GUI software and,
frankly, it sucks.  It was too hard to support and needed to be
completely rewritten.  For the sake of my sanity, I decided to just
stop supporting it.  There are all sorts of ways around its absence --
including using artemis, the command line version of atoms, WebAtoms,
and other more labor-instensive solutions.

B

-- 
 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

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