Re: [Avogadro-Discuss] New CP2K input generator in Avogadro,

2015-03-23 Thread Marcus D. Hanwell
On Mon, Mar 23, 2015 at 6:14 PM, Željko M. Svedružić
 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
>
> http://cp2k.org/tools
>
This looks great, I will try to get it tested and make sure we
distribute this in a future release. Thanks for sharing!

Marcus

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Re: [Avogadro-Discuss] New CP2K input generator in Avogadro,

2015-03-23 Thread Geoffrey Hutchison
Indeed, this looks cool. Joost mentioned it when visiting Pittsburgh a few 
weeks ago. I opened an issue about unit cells though:
https://github.com/infuniri/avogadrolibs-cp2k/issues/1

I'm working with a student to be able to download from GitHub, e.g.:
https://github.com/OpenChemistry/avogenerators

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

Thanks,
-Geoff

> On Mar 23, 2015, at 6:14 PM, Željko M. Svedružić  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
> 
> http://cp2k.org/tools 
> Cheers, 
> 
> **address file***
> Željko Svedružić Ph.D.
> www.svedruziclab.com
> **
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> Dive into the World of Parallel Programming The Go Parallel Website, sponsored
> by Intel and developed in partnership with Slashdot Media, is your hub for all
> things parallel software development, from weekly thought leadership blogs to
> news, videos, case studies, tutorials and more. Take a look and join the 
> conversation now. 
> http://goparallel.sourceforge.net/___
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