| 12:47:36 PM PST - Wed, Feb 8th 2012 |
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Once you have RPMS for 6.1, could you let me know (bert.dejong@pnnl.gov). We'll add a link to those RPMS to our download pages.
Bert
Quote:Marcindulak Feb 8th 7:41 pmWell, not really a find. I'm just ASE contributor, so i know that.
I have performed few optimizations with Nwchem in ASE, so I guess NEB should work too.
In the (maybe near) future the Nwchem interface in ASE will be improved and covered by tests,
and as you already noted i'm working on making RPMS of Nwchem ( http://nwchemgit.github.io/Special_AWCforum/st/id262/RPMS_of_NWchem.html). I'm very close to have 6.1 RPMS built.
Tthe decision to make Nwchem open made that possible! |