New CP2K input generator in Avogadro,

General Discussion
1

For those of you who like to work with CP2K, we are happy to tell
you that we have prepared an input generator in Avogadro

http://cp2k.org/tools [1]

Cheers,

address
file*****
Željko Svedružić
Ph.D.
www.svedruziclab.com

Links:

[1] http://cp2k.org/tools

2

On Mon, Mar 23, 2015 at 6:14 PM, Željko M. Svedružić
zsvedruz@biol.pmf.hr wrote:

For those of you who like to work with CP2K, we are happy to tell you that
we have prepared an input generator in Avogadro

tools [CP2K Open Source Molecular Dynamics ]

This looks great, I will try to get it tested and make sure we
distribute this in a future release. Thanks for sharing!

Marcus

3

Indeed, this looks cool. Joost mentioned it when visiting Pittsburgh a few weeks ago. I opened an issue about unit cells though:

I’m working with a student to be able to download from GitHub, e.g.:

Any feedback as far as the input generator interface for Avogadro2?

Thanks,
-Geoff

On Mar 23, 2015, at 6:14 PM, Željko M. Svedružić zsvedruz@biol.pmf.hr wrote:

For those of you who like to work with CP2K, we are happy to tell you that we have prepared an input generator in Avogadro

tools [CP2K Open Source Molecular Dynamics ] http://cp2k.org/tools
Cheers,

address file*****
Željko Svedružić Ph.D.
www.svedruziclab.com

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