forked from lijiext/lammps
37 lines
1.8 KiB
Plaintext
37 lines
1.8 KiB
Plaintext
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
|