placement of ellipsoids in a cube

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1

Hello,

I am not yet a lammps user, but I am wondering,
if it is the right tool for solving the following problem:

Given a set of ellipsoids with varying radii and fixed
orientations, I want to place them "randomly" inside
a cube without that they intersect. The number of
ellipsoids may be high, and the density varies.
With randomly I mean that they don't all are at the
bottom of the cube due to gravity, or that there
is a size gradient.

Can that be easily solved, and are there example
programs.

Best regards,

Andreas

2

You can put them on lattice sites with random
orientations. See the lattice and create_atoms
and set quat commands. You can perturb
them from those locations randomly using
the displace_atoms random command.

If you want to put them at totally arbitrary
locations, you can use the create_atoms random
command, but then you will likely get large overlaps
which will be bad for dynamics or energy calculation
unless you un-overlap them with careful dynamics.

Steve