Added examples for body rounded/polygon

This commit is contained in:
Trung Nguyen 2018-05-26 13:39:43 -05:00
parent 6b9637eaa3
commit 6438cffa57
2 changed files with 88 additions and 0 deletions

32
examples/body/data.squares Executable file
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LAMMPS data file for polygons: squares of edge length L: Izz = 1/6mL^2
2 atoms
2 bodies
1 atom types
-6 6 xlo xhi
-6 6 ylo yhi
-0.5 0.5 zlo zhi
Atoms
1 1 1 1 0 0 0
2 1 1 1 5 1 0
Bodies
1 1 19
4
1 1 2.67 0 0 0
-2 -2 0
-2 2 0
2 2 0
2 -2 0
0.5
2 1 19
4
1 1 2.67 0 0 0
-2 -2 0
-2 2 0
2 2 0
2 -2 0
0.5

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examples/body/in.squares Executable file
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# 2d rounded polygon bodies
variable r index 3
variable steps index 100000
variable T index 0.5
variable P index 0.2
variable seed index 980411
units lj
dimension 2
atom_style body rounded/polygon 1 6
atom_modify map array
read_data data.squares
replicate $r $r 1
velocity all create $T ${seed} dist gaussian mom yes rot yes
variable cut_inner equal 0.5
variable k_n equal 100
variable k_na equal 2
variable c_n equal 0.1
variable c_t equal 0.1
variable mu equal 0.1
variable delta_ua equal 0.5
pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
pair_coeff * * ${k_n} ${k_na}
comm_modify vel yes
neighbor 0.5 bin
neigh_modify every 1 delay 0 check yes
timestep 0.001
#fix 1 all nve/body
#fix 1 all nvt/body temp $T $T 1.0
fix 1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0 &
y 0.001 $P 1.0 couple xy
fix 2 all enforce2d
compute 1 all body/local id 1 2 3
dump 1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
thermo_style custom step ke pe etotal press
thermo 1000
restart 100000 restart1.bin restart2.bin
#dump 2 all image 10000 image.*.jpg type type zoom 2.0 adiam 1.5 body yes 0 0
#dump_modify 2 pad 6
run ${steps}