Hello List,
I have a question about the ghost atom. There are recreated each time step or they have their own dynamics in the integration of equation of motion?
I also would like to know if there is a method to forced LAMMPS to recreate the ghost atoms at each time step.
thank you very much,
Nicolas
Hello List,
I have a question about the ghost atom.
There are recreated each time step
no.
or they have their own dynamics in the integration of equation of motion?
no.
the number of ghost (and local) atoms are updated
before the rebuild of the neighbor lists.
Comm:exchange() communicates (local) atoms between
MPI tasks when they move from one domain to another.
and Comm::borders() communicates ghost atoms between
the domains.
the positions of ghost atoms are updated between neighborlist
rebuilds using Comm::forward_comm().
i strongly recommend to have a look at the Developer's Guide pdf
and read the comments in the comm.cpp/comm.h and verlet.cpp/verlet.h
I also would like to know if there is a method to forced LAMMPS to recreate the ghost atoms at each time step.
why? that would be very inefficient.
you would have to force LAMMPS to rebuild the
neighbor lists in every step through:
neigh_modify delay 0 every 1 check no
axel.