forked from lijiext/lammps
54 lines
1.2 KiB
Plaintext
54 lines
1.2 KiB
Plaintext
# 3d rounded cubes
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variable r index 3
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variable steps index 10000
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units lj
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dimension 3
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atom_style body rounded/polyhedron 1 10
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read_data data.cubes
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replicate $r $r $r
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velocity all create 1.2 187287 dist gaussian mom yes rot yes
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variable cut_inner equal 0.5
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variable k_n equal 100
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variable k_na equal 1
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variable c_n equal 20
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variable c_t equal 5
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variable mu equal 0
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variable A_ua equal 1
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pair_style body/rounded/polyhedron ${c_n} ${c_t} ${mu} ${A_ua} ${cut_inner}
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pair_coeff * * ${k_n} ${k_na}
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comm_modify vel yes
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neighbor 0.5 bin
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neigh_modify every 1 delay 0 check yes
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timestep 0.001
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#fix 1 all nve/body
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fix 1 all nvt/body temp 1.2 1.2 0.1
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#fix 1 all npt/body temp 1.2 1.2 0.1 iso 0.002 0.02 1.0
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compute p2 all pressure 1_temp
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#compute 1 all body/local id 1 2 3
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#dump 1 all local 1000 dump.* index c_1[1] c_1[2] c_1[3] c_1[4]
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#dump 2 all image 1000 image.*.jpg type type &
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# zoom 1.5 adiam 1.5 body type 0 0 view 60 15
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#dump_modify 2 pad 6
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thermo_style custom step ke pe etotal c_p2 c_1_temp
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thermo 1000
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run ${steps}
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