I am beta testing the new ATOMS for MS Windows which Eric Dowty
of Shape software is producing. This is software for drawing
and manipulating crystal structures.
One of the newly added features is that it
can take in crystal structure data
from the *.ins file from Shelx and also CIF files.
Not surprisingly, I would like it to include the ability to
use input files from common Rietveld software. This will
either be part of this version - or the next.
Would people be able to email me some sample input decks and
documentation (if you have the time) for the following
Rietveld software - and others if applicable. I would like
an input deck with only one phase present - and another with
several if possible.
The "documentation" only needs to describe the position of
the parameters in the input deck. Please feel free to
fax the documentation to me if it is only in hardcopy form.
- (I have already submitted LHPM/RIET7)
- GSAS
- DBWS
- RIETAN
- XRS-82
- Others as specified (SIROQUANT, YRIET?)
- If people have a hacked version of one of the above - where
the input deck formatting has been changed, please feel free to
email this as well.
---
Lachlan.
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PS : On a different matter, I have had requests to convert thismailing list into a newsgroup. This has several advantages -and the mailing list will still be retained and linked to thenewsgroup for those who do not have Usenet access.As the mailing list has 111 subscribers at the moment - the newsgroup guidelines consider this adequate to try andform a Usenet newsgroup. I will mail out more on this later.
--------Lachlan Cranswick - CSIRO _--_|\ lachlan@dmp.CSIRO.AU Division of Mineral Products / \ tel +61 3 647 0367 PO Box 124, Port Melbourne \_.--._/ fax +61 3 646 3223 3207 AUSTRALIA v