SCCS Continuum solvation model
holmbe... at gmail.com
Wed Dec 3 06:15:55 UTC 2014
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
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.
Department of Chemistry, Aalto University
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