25 lines
452 B
Plaintext
25 lines
452 B
Plaintext
# orthogonal box for 2d sq2 lattice unit cell
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dimension 2
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lattice sq2 1.1
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region mybox block 0 1 0 1 -0.5 0.5
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create_box 1 mybox
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create_atoms 1 box
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mass * 1.0
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write_data tmp.data.sq2.orthog
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pair_style lj/cut 1.1
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pair_coeff * * 1.0 1.0
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neighbor 0.0 bin
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thermo_style custom step pe avecx avecy bvecx bvecy pxx pyy vol
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dump 1 all custom 100 tmp.dump.sq2.orthog id type x y z
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run 0
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