一个Lammps脚本

#    2D plasma langevin MD
#    made by David Li 2018-3-6
#    Fork from Linwei
#    version     1.9
#    Last edited 2019-6-3
#    No Chinese , python Bash ready
#    add the J_y


variable        Gamma			equal		40
variable        Beta			equal		0
variable        Kappa			equal		2
variable        random1			equal		1526
variable        random2			equal		7802
variable        random3			equal		3814

variable        file_number         equal           1
variable        time_step           equal           0.008
variable        time_interval       equal           0.08/${time_step}
variable        relax_time          equal           8000/${time_step}
variable        run_time            equal           48000/${time_step}/${file_number}
variable        Temperature         equal           1/${Gamma}

#echo            screen
units           lj
dimension       2
boundary        p p p

atom_style      atomic
lattice         hex     0.31831
region          box     block           -32 32 -16 16 -0.3 0.3
create_box      1       box
create_atoms    1       box
mass            1       1.0

pair_style      yukawa          ${Kappa}    7
pair_coeff      *               *           1.0
neighbor        0.3             bin
neigh_modify    every 1 delay 10 check      yes

compute     C       all     stress/atom NULL

velocity        all     create      ${Temperature}      ${random1}   dist gaussian
variable        fvx     atom       -${Beta}*1.4142*vy
variable        fvy     atom        ${Beta}*1.4142*vx

fix     11      all     nvt     temp         ${Temperature}      ${Temperature}      $(100.0*dt)
timestep        ${time_step}
run             ${relax_time}

fix     23      all     addforce    v_fvx       v_fvy       0.0
fix     24      all     enforce2d

timestep        ${time_step}
run             ${relax_time}

    timestep            ${time_step}
    thermo              ${time_interval}
    thermo_style        custom   step       pxx      pyy       pxy

    run     ${run_time}

David_Li

我还没有学会写个人说明!

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