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

2015-03-23 Thread Željko M . Svedružić
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 ***

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/avogenerato

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