|From:||"reza N.Z" <mrn.nz91@...24...>|
|Date:||Fri, 27 Oct 2017 10:27:23 +0330|
On Thu, Oct 26, 2017 at 4:47 AM, reza N.Z <mrn.nz91@...24...> wrote:
> I asked about non-neutral systems because I have not seen the sentence,
> which is added to the documentation, before and this questions comes to my
> mind that, might further changes is added to the slab correction.
> The system I want to perform is a slab-like system(neutral-system) in order
> to calculate surface tension. The impact of electric field is going to be
> studied on the system. As far as I know, it is essential to use
> slab-correction in z-direction. So if I want to use PPPM/disp method I
> should cancel both coulombic and Lenard-Jones long-range interactions in
> z-direction while the slab-correction implemented in lammps just cancels the
> Coulombic one.
now here is the $1,000,000 question:
how are you going to model the effect of the electric field at the
same level of detail and accuracy?