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Re: Extensible Simulation Package for Research on Soft matter



On Thu, Jan 22, 2009 at 10:29:18AM +0000, Chris Walker wrote:
> http://wiki.debian.org/DebianScience/Chemistry
> 
> lists mpqc and psi3 as well - AFAIK, these don't do DFT, but do do
> abinitio calculations. 

Just to clarify, mpqc does DFT, psi3 does not.  Both are basis-set based
and (as far as I know) do not support plane waves, periodic systems or
pseudopotentials.


Michael


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