Hi dear lammps users
I want to simulate a large particle which is 5 times larger than other atoms, in addition the rotational motion is not important for me. so is it true to use atomic style with a large sigma or not I must to use sphere style? And what is the difference between these styles.
Thanks alot
Ly Xiang
Hi dear lammps users
I want to simulate a large particle which is 5 times larger than other
atoms, in addition the rotational motion is not important for me. so is it
true to use atomic style with a large sigma or not I must to use sphere
style? And what is the difference between these styles.
you have to look at this differently.
what is the interaction model (i.e. what potentials?) that you are going
to use? those determine what per-atom properties need to be stored
and that in turn determines what atom style is required.
if you are just going to do LJ type interactions, you don't need
an atom radius, since the size is determined by the sigma parameter.
cheers,
axel.