[Ifeffit] TkAtoms weirdness and a note about ifeffit 1.2.1

Bruce Ravel ravel at phys.washington.edu
Fri May 23 15:22:23 CDT 2003

Hi folks,

The problem Peter and Carlo wrote about seems to be a genuine bug in
Atoms.  As I understand it, the problem happens when you try to save
the atoms.inp file.  Apparently, something wrong is done whith the
angles when trying to save.

Hopefully Peter suggestion of being mindful of the angle values will

Anyway, I am off to the synchrotron next week, so I probably won't be
able to post a solution until the following week.

On another topic:  folks who are running unix, linux, or OSX and are
updating from ifeffit 1.2.0 to 1.2.1 to benefit by the bugfix
regarding the use of multiple k weights will need to rebuild my codes
after doing so.  Specifically, the perl wrapper needs to be rebuilt
using the updating ifeffit library.  If you do not rebuild my codes,
then Artemis will continue to use the wrapper built with the older
library.  If you are using my horae-update script, you will need to
use the brand-new --force command line argument to coerce the script
to rebuild the codes even though the version number has not changed.

 Bruce Ravel  ----------------------------------- ravel at phys.washington.edu
 Code 6134, Building 3, Room 222
 Naval Research Laboratory                          phone: (1) 202 767 5947
 Washington DC 20375, USA                             fax: (1) 202 767 1697

 NRL Synchrotron Radiation Consortium (NRL-SRC)
 Beamlines X11a, X11b, X23b, X24c, U4b
 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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