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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11170 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2014-01-07 21:35:52 +00:00
parent 5d6442a1c0
commit 2dd06d4ad5
11 changed files with 54 additions and 28 deletions
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2
examples/README
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@ -65,7 +65,6 @@ gpu: use of the GPU package for GPU acceleration
hugoniostat: Hugoniostat shock dynamics
indent: spherical indenter into a 2d solid
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)
melt: rapid melt of 3d LJ system
micelle: self-assembly of small lipid-like molecules into 2d bilayers
@ -83,7 +82,6 @@ rigid: rigid bodies modeled as independent or coupled
shear: sideways shear applied to 2d solid, with and without a void
srd: stochastic rotation dynamics (SRD) particles as solvent
tad: temperature-accelerated dynamics of vacancy diffusion in bulk Si
tri: triangular particles in rigid bodies
voronoi: test of Voronoi tesselation in compute voronoi/atom
Here is how you might run and visualize one of the sample problems:

8
examples/colloid/in.colloid
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@ -35,9 +35,13 @@ fix 2 all enforce2d
#dump 1 all atom 1000 dump.colloid
#dump 1 all image 1000 image.*.jpg type type &
#dump 2 all image 1000 image.*.jpg type type &
# zoom 1.5 center d 0.5 0.5 0.5
#dump_modify 1 pad 5 adiam 1 5.0 adiam 2 1.5
#dump_modify 2 pad 5 adiam 1 5.0 adiam 2 1.5
#dump 3 all movie 1000 movie.mpg type type &
# zoom 1.5 center d 0.5 0.5 0.5
#dump_modify 3 pad 5 adiam 1 5.0 adiam 2 1.5
thermo_style custom step temp epair etotal press vol
thermo 1000

8
examples/crack/in.crack
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@ -66,8 +66,12 @@ neigh_modify exclude type 2 3
#dump 1 all atom 500 dump.crack
#dump 1 all image 250 image.*.jpg type type &
#dump 2 all image 250 image.*.jpg type type &
# zoom 1.6 adiam 1.5
#dump_modify 1 pad 4
#dump_modify 2 pad 4
#dump 3 all movie 250 movie.mpg type type &
# zoom 1.6 adiam 1.5
#dump_modify 3 pad 4
run 5000

8
examples/deposit/in.deposit.atom
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@ -40,12 +40,12 @@ thermo_modify temp add
#dump 1 all atom 50 dump.deposit.atom
#dump 1 all image 50 image.*.jpg type type &
#dump 2 all image 50 image.*.jpg type type &
# axes yes 0.8 0.02 view 80 -30
#dump_modify 1 pad 5
#dump_modify 2 pad 5
#dump 1 all movie 50 movie.mpg type type &
#dump 3 all movie 50 movie.mpg type type &
# axes yes 0.8 0.02 view 80 -30
#dump_modify 1 pad 5
#dump_modify 3 pad 5
run 10000

8
examples/deposit/in.deposit.molecule
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@ -44,12 +44,12 @@ thermo_modify temp add lost/bond ignore lost warn
#dump 1 all atom 50 dump.deposit.atom
#dump 1 all movie 50 image.*.jpg type type &
#dump 2 all movie 50 image.*.jpg type type &
# axes yes 0.8 0.02 view 80 -30
#dump_modify 1 pad 5
#dump_modify 2 pad 5
#dump 1 all movie 50 movie.mpg type type &
#dump 3 all movie 50 movie.mpg type type &
# axes yes 0.8 0.02 view 80 -30
#dump_modify 1 pad 5
#dump_modify 3 pad 5
run 10000

8
examples/deposit/in.deposit.molecule.shake
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@ -45,12 +45,12 @@ thermo_modify temp add lost/bond ignore lost warn
#dump 1 all atom 50 dump.deposit.atom
#dump 1 all image 50 image.*.jpg type type &
#dump 2 all image 50 image.*.jpg type type &
# axes yes 0.8 0.02 view 80 -30
#dump_modify 1 pad 5
#dump_modify 2 pad 5
#dump 1 all movie 50 tmp.mpg type type &
#dump 3 all movie 50 tmp.mpg type type &
# axes yes 0.8 0.02 view 80 -30
#dump_modify 1 pad 5
#dump_modify 3 pad 5
run 10000

8
examples/eim/in.eim
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@ -23,8 +23,12 @@ fix int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1
#dump id all atom 100 dump.eim
#dump 1 all image 25 image.*.jpg element element &
#dump 2 all image 25 image.*.jpg element element &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 1 pad 3 element Na Cl
#dump_modify 2 pad 3 element Na Cl
#dump 3 all movie 25 movie.mpg element element &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 3 element Na Cl
run 500

8
examples/friction/in.friction
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@ -79,8 +79,12 @@ thermo_modify temp new
#dump 1 all atom 500 dump.friction
#dump 1 all image 500 image.*.jpg type type &
#dump 2 all image 500 image.*.jpg type type &
# zoom 1.6 adiam 1.5
#dump_modify 1 pad 5
#dump_modify 2 pad 5
#dump 3 all movie 500 movie.mpg type type &
# zoom 1.6 adiam 1.5
#dump_modify 3 pad 5
run 20000

8
examples/hugoniostat/in.hugoniostat
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@ -89,9 +89,13 @@ fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.da
#dump id all atom 500 dump.hugoniostat
#dump 1 all image 500 image.*.jpg type type &
#dump 2 all image 500 image.*.jpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 1 pad 5
#dump_modify 2 pad 5
#dump 3 all movie 500 movie.mpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 5
run 10000

8
examples/indent/in.indent
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@ -51,9 +51,13 @@ thermo_modify temp new
#dump 1 all atom 250 dump.indent
#dump 1 all image 1000 image.*.jpg type type &
#dump 2 all image 1000 image.*.jpg type type &
# zoom 1.6 adiam 1.5
#dump_modify 1 pad 5
#dump_modify 2 pad 5
#dump 3 all movie 1000 movie.mpg type type &
# zoom 1.6 adiam 1.5
#dump_modify 3 pad 5
run 30000

8
examples/indent/in.indent.min
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@ -42,9 +42,13 @@ thermo 10
#dump 1 all atom 10 dump.indent
#dump 1 all image 25 image.*.jpg type type &
#dump 2 all image 25 image.*.jpg type type &
# zoom 1.6 adiam 1.5
#dump_modify 1 pad 4
#dump_modify 2 pad 4
#dump 3 all movie 25 movie.mpg type type &
# zoom 1.6 adiam 1.5
#dump_modify 3 pad 4
minimize 1.0e-6 1.0e-6 1000 1000