forked from lijiext/lammps
49 lines
966 B
Plaintext
49 lines
966 B
Plaintext
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# 3d Lennard-Jones melt
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units lj
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atom_style atomic
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processors * 1 1
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variable factor index 1.0
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lattice fcc 0.8442
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region box block 0 10 0 10 0 10
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create_box 3 box
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create_atoms 1 box
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mass * 1.0
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region long block 3 6 0 10 0 10
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set region long type 2
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velocity all create 1.0 87287
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pair_style lj/cut 2.5
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pair_coeff * * 1.0 1.0 2.5
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pair_coeff * 2 1.0 1.0 5.0
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neighbor 0.3 bin
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neigh_modify every 2 delay 4 check yes
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group fast type 1
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group slow type 2
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balance 1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
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fix 1 all nve
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#dump id all atom 50 dump.melt
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#dump 2 all image 25 image.*.jpg type type &
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# axes yes 0.8 0.02 view 60 -30
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#dump_modify 2 pad 3
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#dump 3 all movie 25 movie.mpg type type &
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# axes yes 0.8 0.02 view 60 -30
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#dump_modify 3 pad 3
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thermo 50
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run 250
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balance 1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
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run 250
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balance 1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
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run 250
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