Semi-emprical methods
Matt McGrath
obfis... at gmail.com
Fri Dec 10 07:32:52 UTC 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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