[Ifeffit] Artemis autoparams bug

[Scott Calvin]

Hi Bruce,

In response to some users, I was trying to update the ZnO tutorial so 
that it works with current versions of Artemis. Unfortunately, there 
seems to be a bug in the current version of Artemis. I'm posting it 
here on the mailing list because although there are very easy 
workarounds it's likely to give some newcomers trouble.

I have Artemis 0.8.007 on Windows XP.

To see the bug, make sure do_autoparams is on. Also make sure you're 
working with a new project.

Now create and run a feff calculation in the usual way.

When I do this, the guessed parameters created are:

amp for S02
delr for delE0
dr for delr
ss for sigma^2

The second of those is quite confusing, and the third doesn't work.

Of course, the workarounds are simple (e.g. don't use autoparams or 
change the names to something that works). But, since Artemis 
defaults to autoparams on, it seems as if this could be off-putting 
to newcomers.

--Scott Calvin
Sarah Lawrence College