[CP2K:996] Suggestion (BASIS_SET, POTENTIAL, ...)

Teodoro Laino teodor... at gmail.com
Wed Apr 30 16:38:09 CEST 2008


Hi!!!!!!!!

why don't you prepare such a directory and post it here (in the file  
section of the group)?
This will help people involved in the release to think about putting  
this kind of directory
in the release version and at the same time you will help users  
giving them the possibility
to download such files from this discussion forum.

Teo

On 30 Apr 2008, at 15:45, ilya wrote:

>
>
> Hello!!!
>
> The suggestion is that it would be nice to have a directory in the
> cp2k distribution where all needed files with potentials, basis sets
> and maybe force fields could be found and ready for use. Today as far
> as I understand we have some files with basis sets in the ./tests
> directory (which is a little bit confusing) and the latest version of
> file with potentials can be found outside the distribution in
> [Development]/cp2k/potentials directory on berlios.
> To my mind it will be very convenient for the new users to be able to
> find all the needed stuff in such directory right in the distribution.
>
> Sincerely,
> Ilya.
> >




More information about the CP2K-user mailing list