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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9358 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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2013-01-31 19:32:24 +00:00
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examples/README
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@ -35,6 +35,7 @@ discussion.
These are the sample problems and their output in the various These are the sample problems and their output in the various
sub-directories: sub-directories:
body: body particles, 2d system
colloid: big colloid particles in a small particle solvent, 2d system colloid: big colloid particles in a small particle solvent, 2d system
comb: models using the COMB potential comb: models using the COMB potential
crack: crack propagation in a 2d solid crack: crack propagation in a 2d solid
@ -48,6 +49,7 @@ gpu: use of the GPU package for GPU acceleration
hugoniostat: Hugoniostat shock dynamics hugoniostat: Hugoniostat shock dynamics
indent: spherical indenter into a 2d solid indent: spherical indenter into a 2d solid
kim: use of potentials in Knowledge Base for Interatomic Models (KIM) kim: use of potentials in Knowledge Base for Interatomic Models (KIM)
line: line segment particles in 2d rigid bodies
meam: MEAM test for SiC and shear (same as shear examples) meam: MEAM test for SiC and shear (same as shear examples)
melt: rapid melt of 3d LJ system melt: rapid melt of 3d LJ system
micelle: self-assembly of small lipid-like molecules into 2d bilayers micelle: self-assembly of small lipid-like molecules into 2d bilayers
@ -65,6 +67,7 @@ rigid: rigid bodies modeled as independent or coupled
shear: sideways shear applied to 2d solid, with and without a void shear: sideways shear applied to 2d solid, with and without a void
srd: stochastic rotation dynamics (SRD) particles as solvent srd: stochastic rotation dynamics (SRD) particles as solvent
tad: temperature-accelerated dynamics of vacancy diffusion in bulk Si tad: temperature-accelerated dynamics of vacancy diffusion in bulk Si
tri: triangular particles in rigid bodies
Here is how you might run and visualize one of the sample problems: Here is how you might run and visualize one of the sample problems:

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examples/ellipse/in.ellipse.gayberne
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@ -37,8 +37,8 @@ timestep 0.002
compute q all property/atom quatw quati quatj quatk compute q all property/atom quatw quati quatj quatk
#dump 1 all custom 100 dump.ellipse.gayberne & dump 1 all custom 100 dump.ellipse.gayberne &
# id type x y z c_q[1] c_q[2] c_q[3] c_q[4] id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
#dump 1 all image 100 image.*.jpg type type & #dump 1 all image 100 image.*.jpg type type &
# zoom 1.6 center d 0.5 0.5 0.5 # zoom 1.6 center d 0.5 0.5 0.5

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examples/srd/in.srd.pure
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@ -47,4 +47,4 @@ thermo 100
#dump 1 all image 250 image.*.jpg type type zoom 1.6 adiam 0.2 #dump 1 all image 250 image.*.jpg type type zoom 1.6 adiam 0.2
#dump_modify 1 pad 4 #dump_modify 1 pad 4
run 5000 run 50000