46 lines
1.6 KiB
Plaintext
46 lines
1.6 KiB
Plaintext
dimension 3
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units micro
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atom_style meso
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variable a equal 0.1 # lattice spacing micrometers
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variable L equal $a*10
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variable T equal 300.
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variable kB equal 1.3806504e-8 # picogram-micrometer^2/(microsecond^2-Kelvin)
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variable rho_0 equal 1. # density picograms/micrometer^3
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variable c_0 equal 10. # speed of sound micrometers/microsecond
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variable mu equal 1. # dynamic viscosity picogram/(micrometer-microsecond)
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variable h equal $a*4.0 # kernel function cutoff micrometers
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variable mass equal $a*$a*$a*${rho_0}
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variable dt equal 5e-4 # timestep microseconds
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variable skin equal 0.1*$h
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region box block -$L $L -$L $L -$L $L units box
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create_box 1 box
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lattice sc $a
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create_atoms 1 box
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mass * ${mass}
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set group all meso/rho ${rho_0}
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pair_style sdpd/taitwater/isothermal $T ${mu} 76787 # temperature viscosity random_seed
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pair_coeff * * ${rho_0} ${c_0} ${h}
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variable vx_sq atom vx*vx
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variable vy_sq atom vy*vy
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variable vz_sq atom vz*vz
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compute v_sq all reduce ave v_vx_sq v_vy_sq v_vz_sq
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variable vx_sq_check equal c_v_sq[1]*${mass}/${kB}/$T
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variable vy_sq_check equal c_v_sq[2]*${mass}/${kB}/$T
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variable vz_sq_check equal c_v_sq[3]*${mass}/${kB}/$T
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fix 1 all meso
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neighbor ${skin} bin
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timestep ${dt}
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thermo 10
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thermo_style custom step time v_vx_sq_check v_vy_sq_check v_vz_sq_check
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run 200
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