38 lines
698 B
Plaintext
38 lines
698 B
Plaintext
# Point dipoles in a 2d box
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units lj
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atom_style charge
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read_data data.hammersley_sphere
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change_box all boundary f f f
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velocity all create 1.5 49893
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neighbor 1.0 bin
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neigh_modify delay 0
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fix 1 all nve
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# LAMMPS computes pairwise and long-range Coulombics
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#pair_style coul/long 3.0
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#pair_coeff * *
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#kspace_style pppm 1.0e-3
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# Scafacos computes entire long-range Coulombics
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# use dummy pair style to perform atom sorting
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pair_style zero 1.0
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pair_coeff * *
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#fix 2 all scafacos p3m tolerance field 0.001
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kspace_style scafacos fmm 0.001
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kspace_modify scafacos tolerance energy_rel
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kspace_modify scafacos fmm_tuning 1
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timestep 0.005
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thermo 1
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run 20
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