forked from lijiext/lammps
63 lines
1.5 KiB
Plaintext
63 lines
1.5 KiB
Plaintext
# 2d circle of particles inside a box with LJ walls
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variable b index 0
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variable x index 50
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variable y index 20
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variable d index 20
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# careful not to slam into wall too hard
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variable v index 0.3
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variable w index 0.08
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units lj
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dimension 2
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atom_style bond
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boundary f f p
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lattice hex 0.85
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region box block 0 $x 0 $y -0.5 0.5
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create_box 1 box bond/types 1 extra/bond/per/atom 6
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region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
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create_atoms 1 region circle
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mass 1 1.0
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velocity all create 0.5 87287 loop geom
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velocity all set $v $w 0 sum yes
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pair_style lj/cut 2.5
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pair_coeff 1 1 10.0 1.0 2.5
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bond_style harmonic
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bond_coeff 1 10.0 1.2
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create_bonds all all 1 1.0 1.5
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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fix 1 all nve
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fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
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fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
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comm_style tiled
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fix 10 all balance 50 0.9 rcb
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#compute 1 all property/atom proc
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#variable p atom (c_1%10)+1
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#dump 2 all custom 50 tmp.dump id v_p x y z
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#dump 3 all image 200 image.*.jpg v_p type bond atom 0.25 &
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# adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
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#variable colors string &
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# "red green blue yellow white &
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# purple pink orange lime gray"
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#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}
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thermo_style custom step temp epair press f_10[3] f_10
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thermo 100
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run 40000
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