From: Matt S. <mes...@gm...> - 2008-09-23 20:12:23
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I've been away for a while with work and some other things, but I've got the Symmetry Perception module just about done. The code currently passes all 45 structures in my test set so I'm putting out a call for more test structures. I'm looking for structures that are known to correspond to a given point group. In particular I'm looking for very large structures (100s or 1000s of atoms) and structures belonging to Dn n > 4, Sn n > 4, I, O, T, and Th. If anyone has anything send it to me at mes...@gm.... -Matt |