forked from lijiext/lammps
75 lines
2.3 KiB
Groff
75 lines
2.3 KiB
Groff
LAMMPS (27 Nov 2018)
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using 1 OpenMP thread(s) per MPI task
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# pouring 3d rounded polyhedron bodies
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variable steps index 6000
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units lj
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boundary p p fm
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comm_modify vel yes
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atom_style body rounded/polyhedron 1 8
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atom_modify map array
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region reg block 0 50 0 50 0 50 units box
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create_box 4 reg
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Created orthogonal box = (0 0 0) to (50 50 50)
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1 by 2 by 2 MPI processor grid
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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 5
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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_style body/rounded/polyhedron 20 ${c_t} ${mu} ${A_ua} ${cut_inner}
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pair_style body/rounded/polyhedron 20 5 ${mu} ${A_ua} ${cut_inner}
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pair_style body/rounded/polyhedron 20 5 0 ${A_ua} ${cut_inner}
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pair_style body/rounded/polyhedron 20 5 0 1 ${cut_inner}
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pair_style body/rounded/polyhedron 20 5 0 1 0.5
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pair_coeff * * ${k_n} ${k_na}
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pair_coeff * * 100 ${k_na}
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pair_coeff * * 100 5
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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 2 all gravity 1.0 spherical 0.0 -180.0
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molecule object molecule.cube molecule.tetra toff 1 molecule.rod3d toff 2 molecule.point3d toff 3
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Read molecule object:
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1 atoms with max type 1
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0 bonds with max type 0
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0 angles with max type 0
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0 dihedrals with max type 0
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0 impropers with max type 0
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Read molecule object:
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1 atoms with max type 2
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0 bonds with max type 0
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0 angles with max type 0
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0 dihedrals with max type 0
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0 impropers with max type 0
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Read molecule object:
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1 atoms with max type 3
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0 bonds with max type 0
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0 angles with max type 0
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0 dihedrals with max type 0
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0 impropers with max type 0
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Read molecule object:
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1 atoms with max type 4
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0 bonds with max type 0
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0 angles with max type 0
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0 dihedrals with max type 0
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0 impropers with max type 0
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region slab block 5 45 5 45 25 35 units box
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fix ins all pour 500 0 4767548 vol 0.4 10 region slab mol object molfrac 0.25 0.25 0.25 0.25
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ERROR: Unknown fix style pour (src/modify.cpp:898)
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Last command: fix ins all pour 500 0 4767548 vol 0.4 10 region slab mol object molfrac 0.25 0.25 0.25 0.25
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