SCCS Continuum solvation model

[Matthias Krack]

Dear Nico,

you are referring to the local manual of the CP2K development version at 
PSI in which the SCCS model is in fact implemented. This implementation is 
not yet committed to the main CP2K repository, but I hope this will be the 
case soon. Just follow the commits to the main CP2K trunk version.

Regards,

Matthias

On Wednesday, 3 December 2014 07:15:55 UTC+1, Nico Holmberg wrote:
>
> Dear CP2K users & developers, 
>
> I am interested in trying out the SCCS implicit solvent model by Andreussi 
> et al. ("Revised self-consistent continuum solvation in 
> electronic-structure calculations", http://dx.doi.org/10.1063/1.3676407). 
> According to the online input reference manual, this feature should be 
> implemented in CP2K version 2.6, revision 14482 (
> http://cp2k.web.psi.ch/manual/devel/CP2K_INPUT/FORCE_EVAL/DFT/SCCS/ANDREUSSI.html). 
> However, when I downloaded the said version from the SVN repository, I 
> found no mention of the method in the source code. I also tried looking at 
> the SVN change logs for the bibliography and input parsing files 
> (common/bibliography.F and input_cp2k_dft.F) but again I found nothing. 
>
> If anyone is familiar with the current status of the SCCS method 
> implementation I would appreciate any details you can provide.
>
>
> Regards,
>
> Nico Holmberg
> Doctoral candidate
> Department of Chemistry, Aalto University
> Finland 
>
>
>
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