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2012-01-12 19:12:10 +00:00
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examples/README
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@ -4,8 +4,9 @@ Each of these sub-directories contains a sample problem you can run
with LAMMPS. Most are 2d models so that they run quickly, requiring a
few seconds to a few minutes to run on a desktop machine. Each
problem has an input script (in.*) and produces a log file (log.*) and
dump file (dump.*) when it runs. Some use a data file (data.*) of
initial coordinates as additional input.
(optionally) a dump file (dump.*) or image files (image.*) when it
runs. Some use a data file (data.*) of initial coordinates as
additional input.
A few sample log file outputs on different machines and different
numbers of processors are included in the directories to compare your
@ -17,11 +18,6 @@ identical answers to those in the log of dump files included here.
See the Errors section of the LAMMPS documentation for more
discussion.
The dump files produced by the example runs can be animated using the
xmovie tool described in the "Additional Tools" section of the LAMMPS
documentation. Animations of many of these examples can be viewed on
the Movies section of the LAMMPS WWW Site.
These are the sample problems and their output in the various
sub-directories:
@ -61,10 +57,22 @@ cd indent
cp ../../src/lmp_linux . # copy LAMMPS executable to this dir
lmp_linux < in.indent # run the problem
Running the simulation produces the files dump.indent and log.lammps.
You can visualize the dump file as follows:
If you uncomment the dump atom (or dump custom or dump cfg) line(s) in
the input script a dump.* file will be produced by the run. These can
be animated using tools like VMD or AtomEye, or the xmovie tool
described in the "Additional Tools" section of the LAMMPS
documentation, e.g.
../../tools/xmovie/xmovie -scale dump.indent
% ../../tools/xmovie/xmovie -scale dump.indent
If you uncomment the dump image line(s) in the input script a series
of JPG images will be produced by the run. These can be viewed
individually or turned into a movie or animated by tools like
ImageMagick or QuickTime or various Windows-based tools. See the dump
image doc page for more details. E.g. this Imagemagick command would
create a GIF file suitable for viewing in a browser.
% convert -loop 1 *.jpg foo.gif
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