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lammps/examples/pour/in.pour.2d.molecule
e3eb61765260lammm-master-deprecated

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in.pour.2d.molecule
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# Pour 2d granular particles into container
dimension 2
atom_style sphere
atom_modify map array
boundary f fm p
newton off
comm_modify vel yes cutoff 2.5
fix prop all property/atom mol ghost yes
region reg block 0 100 0 50 -0.5 0.5 units box
create_box 1 reg
neighbor 0.2 bin
neigh_modify delay 0
# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001)
# are used in this example file to produce a quick simulation and movie.
# More appropriate values for realistic simulations would be
# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian).
pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0
pair_coeff * *
timestep 0.001
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 &
xplane 0 100
fix ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 &
yplane 0 NULL
molecule object molecule.vshape
fix 3 all rigid/small molecule mol object
# insure region size + molecule size does not overlap wall
region slab block 3.0 97.0 30 34.5 -0.5 0.5 units box
fix ins all pour 500 0 4767548 vol 0.8 10 &
region slab mol object rigid 3
fix 4 all enforce2d
compute 1 all erotate/sphere
compute Tsphere all temp/sphere
thermo_style custom step atoms ke c_1 vol
thermo_modify lost ignore norm no temp Tsphere
compute_modify Tsphere dynamic yes
thermo 1000
#dump id all atom 100 tmp.dump
#variable colors string &
# "red green blue yellow white &
# purple pink orange lime gray"
#variable mol2 atom mol%10
#dump 2 all image 250 image.*.jpg v_mol2 type &
# zoom 1.6 adiam 1.5
#dump_modify 2 pad 5 amap 0 10 sa 1 10 ${colors}
#variable colors string &
# "red green blue yellow white &
# purple pink orange lime gray"
#variable mol3 atom mol%10
#dump 3 all movie 250 movie.mpg v_mol3 type &
# zoom 1.6 adiam 1.5
#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}
run 25000
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