I am wondering if I am thinking correctly about the following problem :
- Define the box of the dimensions $(a,a,H)$ in the $X$,$Y$, and $Z$ directions, respectively.
- Insert $n$ particles into the box using PBC in $X$ and $Y$ directions
- Move the particles using a quite analogous condition as in the previous pgms (of course, PBC in $X$ and $Y$ directions should be taken into account)
To test the pgm use $a=10$, $H=6$, $n$ of the order of $100-500$
I have generated random numbers for the $x$ and $y$ axis from the interval $[0,a]$ and for $z$ $[0,h]$.
Then, I have applied the PBC to the $x$ and $y$ axis and shifted them with the following rule:
xt=x(j)+shift*2*rand() - shiftand also applied PBC to the shifted position.
Xt is the new position of the point. For the y axis the operation is similar.
shift is the parameter in the interval $[0.1,1]$ but in this case, it is $0.5$
Am I thinking correctly about this problem, or there is some other way that I should take into account?