Hi, Lammps users/developers:
I am trying to use fix/hyper/global(lammps-3Mar20), and want to use boundary p p m.
In hyper.cpp, there is one restriction:
if (domain->box_change) error->all (FLERR,"Cannot use hyper with a changing box");
because I’m using boundary m, so box_change=1.
The hyper.cpp also said “removing this restriction would require saving/restoring box params”.
I want to ask:
Why it needs saving/restoring box parameters?
Where are the saved box parameters to be used?
I checked the code related with hyper/global, found only one function related with box parameters.
dx = x[i] + xbox*xprd - xevent[i];
dy = x[i] + ybox*yprd - xevent[i];
dz = x[i] + zbox*zprd - xevent[i];
But when the boundary of z direction is m, zbox always equal to 0. So the change of zprd doesn’t matter.
I am not sure whether it related with other fixes. In my lammps script, I also use fix nve, langevin and rigid.
Thank you for your time.