Semi-emprical methods

Matt McGrath obfis... at gmail.com
Fri Dec 10 08:32:52 CET 2010


Hello everyone.  I was originally just going to send this to the devs
concerned, but I thought it might be useful for the whole group.

I'm thinking of having some of my students take a look at semi-
empirical stuff with CP2K, both MC and MD.  Looking through the Google
group, a year ago there was something wrong with the periodic
implimentation.  Is that still the case?  I wasn't able to find any
update to the source that said "Periodic SE now working."  I have some
periodic and cluster systems I'd like to look at, so if that's true,
we can still do the cluster systems, but I think it'd be great to use
the periodic, too.

Thanks!

                          Cheers, Matt


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