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大漠之鹰

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[求助] 求助帮解释下这个关于石墨烯热导率的in文件语句，最好给逐句解释

# MD simulation of graphite thermal conductivity

units             metal
dimension          3
newton             on
boundary          p s s
atom_style       atomic
neighbor          0.3 nsq
neigh_modify    delay 5 check yes
read_data       4qd.lammps05

group          C type  1
group          N type  2

pair_style       hybrid/overlay  airebo 3.0 1 1 tersoff
pair_coeff    * *  tersoff NC.tersoff C  N
pair_coeff    * * airebo  CH.airebo C  NULL

velocity       all create 200 10248678 mom yes rot yes dist gaussian units box

fix             NVT all nvt temp 200 200  0.05  drag 0.2

compute       ke  all  ke/atom
variable       temp atom c_ke/(1.5*8.617343e-5)

thermo_style    custom  step temp  etotal  vol
thermo_modify lost warn
thermo          100
timestep       0.0005
run             1000000

unfix          NVT
fix             nve  all  nve

fix             temp_profile all ave/spatial 1  100000 100000 x lower 3.45  v_temp file  temp.profile  units box

fix          heat_swap  all thermal/conductivity    10  x  60 swap 2
fix          e_exchange all ave/time 10 1000  10000 f_heat_swap file e_exchange.dat

dump          graphence all  xyz 1000 dump.xyz

run          2000000

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