55 lines
820 B
Plaintext
55 lines
820 B
Plaintext
# 3d Lennard-Jones melt
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units lj
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atom_style atomic
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lattice fcc 0.8442
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region box block 0 20 0 20 0 20
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create_box 1 box
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create_atoms 1 box
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mass 1 1.0
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velocity all create 3.0 87287
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pair_style table bitmap 12
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pair_coeff 1 1 lj_table.txt lj_bitmap 2.5
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neighbor 0.3 bin
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neigh_modify every 2 delay 2 check yes
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fix 1 all nve
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thermo 50
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run 250
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pair_style table linear 1000
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pair_coeff 1 1 lj_table.txt lj_rsq 2.5
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run 250
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pair_style table spline 1000
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pair_coeff 1 1 lj_table.txt lj_rsq 2.5
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run 250
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pair_style table lookup 1000
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pair_coeff 1 1 lj_table.txt lj_r 2.5
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run 250
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pair_style table linear 1000
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pair_coeff 1 1 lj_table.txt lj_r 2.5
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run 250
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pair_style table spline 1000
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pair_coeff 1 1 lj_table.txt lj_r 2.5
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run 250
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pair_style table bitmap 12
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pair_coeff 1 1 lj_table.txt lj_bitmap 2.5
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run 250
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