EAM/MEAM

[Axel]

On Oct 6, 4:16 am, salah <boulf... at googlemail.com> wrote:
> Hi everybody,
> I have a question for cp2k developers, especially those who wrote the
> EAM part.
> Is there any possibility to have the modified EAM (MEAM)  implemented
> in the near future ????
> Does anybody work on this actually ???

on top of juerg's question:
do you have a special need for MEAM in cp2k?

there is a MEAM implementation in the LAMMPS MD
code for example, which seems to me in general
better suited for this kind of simulation setups
as cp2k. unless one needs specific features that
are only available in cp2k, that is...

in case somebody cares about adding MEAM to cp2k,
one may consider linking with the MEAM  (fortran90)
library bundled with LAMMPS (which is GPL'd).

cheers,
   axel.

> It would be great to have it (at least for me !).
>
> Thanks in advance.
>
> Cheers
>
> salah