[Ifeffit] atoms "bug" in 9.18.2

fred.mosselmans at diamond.ac.uk fred.mosselmans at diamond.ac.uk
Thu Sep 12 09:12:28 CDT 2013

Hi Bruce
This is so minor that I am unsure whether to report it, but working on a windows xp computer the add a site button in atoms doesn't seem to work.
I found it initially,  when entering a partial occupancy containing cif where I was manually entering the atom positions as I am rubbish at editing the cif properly.
The easy work round is to write out the partial  .inp file and then edit the extra sites in a text file and read it back in.

I then started a new artemis session and found the button  still did  nothing.

I then read in an .inp file and the button still does nothing. I filled it up the six rows with meaningless sites so there were no blank  sites left  and ....

I attach a log of that  session. Though it doesn't seem to have much in it. And the project which is rather meaningless as it crashes artemis when I try to re-open it. (the log says there's a method group problem. But that's not the bug I am reporting.  Copying and pasting rows keeps the no of empty rows as well so that's another way round it.
By the way it's great atoms reads cif files without problems (except PO sites nowadays)

Prof.  J F W Mosselmans
Principal Beamline Scientist I18
Diamond Light Source
Diamond House
Harwell Campus


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