[Ifeffit] Bugs in new versions of Athena and Artemis

Bruce Ravel ravel at phys.washington.edu
Thu Mar 11 09:20:42 CST 2004


I am looking into each of your points about artemis.  I have not seen
any of these behaviors on my linux machine, so I booted up the Windows
2K virtual machine and am checking them out.

Just to keep my thoughts organized, I am going to address each of your
points in separate emails as I get to them.

> - Having multiple FEFF-Calculations in one file is not possible:
> 'Co Hexa Cubic.apj' is a project where I imported two different atoms
> calculations (first hexagonal cobalt, second cubic cobalt) and ran FEFF.
> But only the second calculation can be displayed. And when looking at
> the project file there exists only one FEFF-calculation despite two
> trees in the Artemis program. It seems as if the first calculation has
> been overwritten.

I concur that the project file you sent is flawed.  There is certainly
only one feff calculation in the file.

However, I cannot reproduce this problem on my computer.  When I
import two atoms.inp file and run atoms then feff in any order, I end
up with two usable feff calculation.  When I save the project and
reopen the project, I still have two usable feff calculations.

Apparently something went wrong as you were doing this, but I don't
yet have enough information to track down the problem.

A few questions:

1.  Did you do anything to the folders or files under
      C:\Program Files\Ifeffit\horae\stash\artemis.project.0\ 
    while Artemis was still running?

2.  On the taskbar is an item that says "artemis" and that has the
    same icon as the desktop icon.  Can you click it open and see if
    any kind of error messages are written there while you reproduce
    this problem?

3.  When you reproduce this problem, keep careful track of which
    buttons you push and in which order.  That may be useful
    information for me.

On to the next problem...

 Bruce Ravel  ----------------------------------- ravel at phys.washington.edu
 Code 6134, Building 3, Room 405
 Naval Research Laboratory                          phone: (1) 202 767 2268
 Washington DC 20375, USA                             fax: (1) 202 767 4642

 NRL Synchrotron Radiation Consortium (NRL-SRC)
 Beamlines X11a, X11b, X23b
 National Synchrotron Light Source
 Brookhaven National Laboratory, Upton, NY 11973

 My homepage:    http://feff.phys.washington.edu/~ravel 
 EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/

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