37 lines
609 B
Plaintext
37 lines
609 B
Plaintext
# Point dipoles in a 2d box
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units lj
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atom_style hybrid sphere dipole
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dimension 2
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package omp 0
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lattice sq2 0.7
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region box block 0 20 0 20 -0.5 0.5
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create_box 1 box
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create_atoms 1 box
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replicate 2 2 1
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mass 1 1.0
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set group all mass 1.0
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set group all dipole/random 98934 0.75
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velocity all create 0.0 87287 mom no
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pair_style lj/cut/dipole/cut/omp 2.5
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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
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fix 1 all nve/sphere update dipole
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fix 2 all enforce2d
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timestep 0.005
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compute erot all erotate/sphere
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thermo_style custom step temp epair c_erot etotal press
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thermo 500
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run 10000
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