Dear all,
I have initialized the system of particles at the sites of a simple cubic lattice (just to avoid initial overlapping of the particles and huge forces). Then I run the LAMMPS for 1000 steps and when I then make a snapshot of particles (attached below) I see that most of them haven’t been moved at all.
Was does actually LAMMPS do at a single MD step?
I thought it updates the positions of all the particles in the system exactly one time, isn’t it?
Thanks!
Anton
Dear all,
I have initialized the system of particles at the sites of a simple cubic
lattice (just to avoid initial overlapping of the particles and huge
forces). Then I run the LAMMPS for 1000 steps and when I then make a
snapshot of particles (attached below) I see that most of them haven't been
moved at all.
Was does actually LAMMPS do at a single MD step?
it does what you tell it to do in your input file.
I thought it updates the positions of all the particles in the system
exactly one time, isn't it?
if you request a velocity verlet integrator, yes.
axel.