Since nobody has replied yet, I'll try.
I don't want to debug your input script, but I'll point you in the
direction of a couple examples containing ellipsoids which work. I
suggest starting from one of these examples and then modify it to suit
your needs:
1) the "ellipsoid" example that comes with LAMMPS:
This example uses the "create_atoms" command to fill a box full of ellipsoids.
2) the "ellipsoids" example that comes with moltemplate:
This example requires installing "moltemplate". It uses moltemplate
to create a DATA file that LAMMPS can read. (Data files give you more
freedom to control the position and orientation of each ellipse at the
beginning of your simulation. This may be more freedom than you
want.) So that you don't have to install moltemplate, I included the
DATA file, as well as the input script fragments that use it as
attachments to this email. To run this example, download the
"system.data", "system.in.init", "system.in.settings", and "run.in"
files (attached), and use:
lmp_mpi -i run.in
(...where "lmp_mpi" is the name of your LAMMPS binary executable. It
will vary depending on how you compiled LAMMPS.)
I would also start with a 3D example, (because I'm not sure whether
LAMMPS behaves correctly when simulating ellipsoidal particles in 2D).
Again, LAMMPS is complicated enough that it's easier to start from a
working example than to try and create the files from scratch. Good
luck.
Andrew
system.data (8.68 KB)
system.in.init (239 Bytes)
system.in.settings (765 Bytes)
run.in (1.35 KB)