38 lines
861 B
Plaintext
38 lines
861 B
Plaintext
# 2d NEMD simulation
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units lj
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atom_style atomic
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dimension 2
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lattice sq2 0.8442
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region box prism 0 10 0 8 -0.5 0.5 0 0 0
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create_box 2 box
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create_atoms 1 box
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mass * 1.0
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velocity all create 1.44 87287 loop geom
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region slice block 4 6 INF INF INF INF
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set region slice type 2
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pair_style lj/cut 4.0
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pair_coeff * * 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1
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fix 1 all nvt/sllod temp 1.0 1.0 1.0 tchain 1
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fix 2 all deform 1 xy erate 0.01 remap v
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#dump 1 all custom 500 dump.nemd id type x y z
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#dump 2 all image 100 image.*.jpg type type adiam 1.2
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#dump_modify 2 pad 5
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#dump 3 all movie 100 movie.mpg type type adiam 1.2
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#dump_modify 3 pad 5
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thermo 50
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run 1000
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