[Ifeffit] Minor bugs in the new versions

[Schmithals]

Dear Bruce,

I installed the new versions of the programs. Many thanks for your 
ongoing work and especially for the new feature of exporting parameter 
values in Athena.
While working with the new versions I listed the problems that I still 
ran over (all just minor problems that are not critical or for which I 
figured out a workaround). Some of the bugs have already been mentioned, 
but I was not sure if they should already be fixed with this release - 
if not please just ignore these points. Hope it helps to improve the 
software. My System is Win2000.

Artemis 0.7.003
- After the update the path to the stash-folder is set to the default 
path: "c:\Program Files\Ifeffit\horae\stash" although my Ifeffit is 
installed at "c:\Programme\Ifeffit" and previously the stash folder was 
"c:\Programme\Ifeffit\horae\stash". Is it possible to set the stash 
folder automatically to the subfolder in the installation directory?
Obviously, this should be corrected via: Options | General | Workspace. 
But Artemis will not let me do that. I included the messages that 
Artemis gives when I change the path and press "Save changes to future 
sessions" and "return to main window". In the latter case Artemis will 
ask if I want to keep changes for future sessions (obviously it 
recognizes that changes have not been saved) but will not return to the 
main program (and not change the path).
However, it does affect working with Artemis in any other way (as far as 
I can tell).
- Atoms potential cards (in feff.inp) is sometimes wrong. (work-around: 
enlarge r_max in atoms.inp)
- Artemis will stumple if I try to import 30 paths (my default) but feff 
generated less than that (no paths will be loaded and and error message 
generated, see ARTEMIS Import.TRAP).
- If I run feff, import 30 paths and then do that a second time, Artemis 
does not delete the old entries in the "data&paths"-window but just 
append the new entries with names "feff0001.dat:2" etc., is that the 
intended behaviour? The problem is that if I decrease r_max in feff.inp 
before doing the second run (to a value so that feff produces less than 
30 path-files) Artemis will generate error messages when trying to plot 
the first path entries (obviously because they dont exist anymore).
- Function "discard this dataset" does not delete the main folder 
"data0.feff.0". Therefore, after deleting a few FEFF-datasets I end up 
with a lot of folders "data0.feff.x", because the empty ones are not 
reused. The function also does not delete the corresponding parameter 
values (which is probably better than deleting them).
- Set-up of Atoms/Feff-page before loading a datafile will lead to 
errors (already discussed)

Athena 0.8.027
- Athena does not start when Artemis is running. Two new Windows will 
show up for a moment in the taskbar and disappear again, no error logs 
are written to the stash-folder. No problems occur if Artemis is not 
running. Also Artemis will not start when Athena is running.
- When using the export function via "File | Save marked groups as data" 
Athena will state that I may not export more than 15 datafiles. But it 
also produces errors with less files: it seems that the maximum line 
width is limited to 259 characters. The line with the names of the 
datagroups is usually longer and therefore gets truncated.
- Access to last opened files is not released: it is not possible to 
rename/delete project files that just have been closed or data files 
that just have been read in. This is possible after a new project file 
is opened or a new data file imported.
- Sometimes the selection of groups gets faulty: when clicking on one of 
the groups it will not be highlighted. Instead the previously selected 
group will be redisplayed (and remains highlighted). Sometimes a 
completly different group will be highlighted and displayed. Closing and 
reopening will not solve the problem, but restarting of Athena does. I 
could not figure out how to reproduce this error and nothing is written 
to the stash-folder.
- Athena sometimes resizes the width of the right panel (Data groups) by 
itself. E.g. when exporting data via "File | Save chi(R)" the window 
becomes wider and gets small again when clicking on a datagroup 
afterwards (but not always ?!).
 
Atoms ?
- I am not sure about the version number because "Help"|"About Atoms" 
displays "left" (?!) instead of version number.
- The "Browse Space Groups" will still invoke the browser only once.

Hephaestus 0.01
- Multiple choosing of Settings | Energies will TOGGLE between display 
in energies/wavelengths (instead of just keeping displaying in terms of 
energy). Moreover, the checkmark in the Settings-Dialog will stay at 
"Energies", even when displaying in wavelengts. Despite of this I would 
propose to display the unit on the main page anyway.
- On my machine the checkmarks are hard to recognize as they only shown 
up as two tiny red dots. But they will show up as checkmarks when I 
hover over them with the mouse. (This behaviour is common to all the 
programs, also in previous versions).

I also have some general question:
- Is it possible to do an offline installation on a computer not 
connected to the internet? (e.g. by manually loading the updates-files 
and changing "update_site" in updater.ini)
- Is there a way in Athena to display the raw data of a group as a text 
file? Athena will not allow to edit this data via "Edit | Edit data as 
text". I only had the idea of saving the group and looking at the 
resulting text file.
- This raised another point: if I compare the file I read into Athena 
with the file I exported then I notice that they have a different 
scaling (abszissae values) - does Athena automatically change the 
scaling when importing data files? I also noticed that when exporting 
multiple groups then all groups are scaled to the same abszissae values 
which is not the case when I export them separately.

Regards,
Gerrit

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