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lammps/examples/ASPHERE/README
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This directory has examples of how to model aspherical particles with
or without solvent, in 3 styles LAMMPS provides. Namely point
ellipsoids, rigid bodies, and generalized aspherical bodies built from
line/triangle surface facets in 2d/3d.
Each directory has an input script, a data file (if needed), and an
output log file. Most of the systems are 2d, but many of the runs
take a minute or two on 8 processors, since these are complicated
systems. Some of the directories include a Python script, which can
be used with the Pizza.py tool to create the data file, e.g. for
collections of rigid bodies.
The web site for Pizza.py is http://pizza.sandia.gov
For example, If you have Pizza.py installed you can type "pizza.py -f
box.py", which creates the data.box data file in the box dir.
If you uncomment the dump or dump image lines in the input scripts the
runs will produce dump files or JPG images which you can view or
animate. See the Movies page of the LAMMPS web site
(http://lammps.sandia.gov/movies.html), for animations of these
scripts. Most were done using the dump image command. A few were
done using the gl tool in Pizza.py; the Pizza.py scripts that do the
animation are given in the directory, e.g. as line.viz.py.
These are the directories in ASPHERE. SRD refers to a coarse-grained
stochastic rotation dynamics solvent, using the fix srd command.
box = 2d rigid box particles in SRDs, self-diffusion and viscosity
dimer = 2d rigid dimers in SRDs, self-diffusion and viscosity
ellipsoid = 2d ellipsoids in SRDs, self-diffusion and viscosity
line = 2d line-faceted rigid particles, NEMD shearing for viscosity,
implicit and in SRDs
poly = 2d poly-disperse spheroids in SRDs, self-diffusion and viscosity
star = 2d rigid star particles in SRDs, self-diffusion and viscosity
tri = 3d triangle-faceted rigid particles in SRDs, NEMD shearing for viscosity
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