[lammps-users] variable for image flag and position

LAMMPS LAMMPS Mailing List Mirror
1

  1. I’d like to flip the coordinate of atom inside simulation box when atom’s cooridnate is out of range of simulation box before update list process.
    Is there a command to perform such a job it in LAMMPS?

  2. Is there variable for image flag of a certain atom?
    I can’t find it and if I’d like to see and change image flags of a certain atom, what should I do for it?

  3. To calculate deviation distance of every atom for the skin depth of neighbor list, original position per every atom should be required, as you now.
    I think there is a variables for coordinate and image flag of original poisition per every atom, whether it is predefined variable or inner-use only
    variable.
    If I can see and change such variables, what should I do for it?

Best regards,

Luke

2

Why do you want to do any of these things?
(1) in particular sounds like a way to mess
up what LAMMPS is already doing.

atom->image stores the images flags
neighbor->xhold stores the original position
of each atom at the time reneighboring is done

Steve

2010/10/9 JhonY. I. <[email protected]...>: