Re: [ESPResSo-users] 1d colloidal system with MMM1D

[Axel Arnold]

Hi!

Mmm1d should serve your purpose, and as far as I remember, the code actually 
notices that the nonperiodic component is zero and adds only one term in the 
underlying expansion. Nevertheless, the algorithm has N-squared complexity, and 
is thus not suitable for systems larger than maybe 500 particles.

Best,
Axel

> Am 31.07.2015 um 17:05 schrieb Salvador H-V <address@hidden>:
> 
> Hi,
> 
> I want to simulate a (strictly) one-dimensional colloidal system. The 
> particles will move
> along a line with periodicity only in  one-direction. The study that I 
> pretend to do is similar to that reported in
> 
> THE JOURNAL OF CHEMICAL PHYSICS 133, 114902 2010
> Ordering and single-file diffusion in colloidal systems
> 
> In that work authors used WCA and Yukawa potentials to study the ordering and 
> dynamics along the channel. Here, I am interested in a long-range 
> particle-particle repulsive potential, i.e., electrostatic potential.
> 
> I have made some reading and it seems that the MMM1D method could serve to my 
> proposes. 
> 
> To be on the safe side  I am just wondering if there is something that I 
> should be aware or if somebody could give some advice before embarking.
> 
> Thanks a lot in advance
> 
> Salvador H-V
> 
> 
> 
> 
>