2007-06-23 07:46:37 +08:00
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# Point dipoles in a 2d box
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units lj
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2011-04-14 05:40:28 +08:00
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atom_style hybrid sphere dipole
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2007-06-23 07:46:37 +08:00
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dimension 2
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lattice sq2 0.7
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region box block 0 10 0 10 -0.5 0.5
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create_box 1 box
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create_atoms 1 box
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2011-06-20 22:26:28 +08:00
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# need both mass settings due to hybrid atom style
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mass 1 1.0
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2011-04-14 05:40:28 +08:00
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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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2007-06-23 07:46:37 +08:00
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velocity all create 0.0 87287 mom no
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pair_style dipole/cut 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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2008-03-19 05:28:18 +08:00
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fix 1 all nve/sphere update dipole
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2007-06-23 07:46:37 +08:00
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fix 2 all enforce2d
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timestep 0.005
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2008-03-19 05:28:18 +08:00
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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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2007-06-23 07:46:37 +08:00
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thermo 500
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2009-01-10 06:18:56 +08:00
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dump 1 all custom 200 dump.dipole id type x y z mux muy muz
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2007-06-23 07:46:37 +08:00
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run 10000
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