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[gdiscuss] Introduction


Well, I've just uploaded a new version of GDIS (0.71-6) consisting
mainly of minor fixes and enhancements (check version history for
details). I've also updated the web page to let people know about
this mailing list, hopefully it all works fine.

To those who are interested, one of the future features of GDIS will be
the ability to construct surfaces from input unit cells. After loading
your crystal structure, you can specify a miller index and GDIS should
generate all possible cuts with 0 dipole normal to the surface. In
you will then be able to calculate things like the surface energy and
predict the (equilibrium) morphology. Andrew Rohl is helping to code
at the moment, but don't expect it to be ready for a while.

Other planned features/fixes can be found in the TODO file, if you
feel inclined to follow the torturous route my mind sometimes travels.


Sean Fleming
Laboratory for Process Equipment
Leeghwaterstraat 44 
2628 CA Delft
The Netherlands
Phone:  +31 (0)15 278 6661  
  Fax:  +31 (0)15 278 6975