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