46 lines
1.1 KiB
Plaintext
46 lines
1.1 KiB
Plaintext
##### overdamped dynamics of a sphere (with dipole attached to it) in 2D #####
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variable rng string uniform
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variable seed string 198098
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variable temp string 1.0
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variable gamma_t string 5.0
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variable gamma_r string 0.7
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variable params string ${rng}_${temp}_${gamma_r}_${gamma_t}
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units lj
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atom_style hybrid dipole sphere
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dimension 2
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newton off
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lattice sq 0.4
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region box block -30 30 -30 30 -0.2 0.2
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create_box 1 box
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create_atoms 1 box
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mass * 1.0
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set type * dipole/random ${seed} 1.0
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velocity all create 1.0 1 loop geom
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neighbor 1.0 bin
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neigh_modify every 1 delay 1 check yes
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pair_style none
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fix 1 all brownian/sphere ${temp} ${seed} rng ${rng} gamma_r ${gamma_r} gamma_t ${gamma_t}
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#initialisation for the main run
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# MSD
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compute msd all msd
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thermo_style custom step ke pe c_msd[*]
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#dump 1 all custom 1000 dump_${params}_2d.lammpstrj id type &
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# x y z xu yu zu mux muy muz fx fy fz
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#dump_modify 1 first yes sort id
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timestep 0.00001
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thermo 100
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# main run
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run 3000
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