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nihaohao360

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[½»Á÷] fix addtorque

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# 3-d LJ xuanzhuan simulation

dimension        3
boundary        f f p

atom_style        atomic
neighbor        0.3 bin
neigh_modify    every 1 delay 1

# create geometry

lattice                bcc 1.14
region      1 cylinder z 5 5 5 -3.0 3.0
create_box        1 1
create_atoms   1 region 1
mass                1 1.0
group       zhuanzi region 1

# LJ potentials

pair_style        lj/cut 2.5
pair_coeff        1 1 1.0 1.0 2.5

# initial velocities

compute             mobile zhuanzi temp
fix          2 zhuanzi rigid group 1 zhuanzi
fix           3 zhuanzi addtorque 0 0 1

#Run

timestep            0.003
thermo                    1000
thermo_style    custom step atoms temp
thermo_modify   lost ignore flush yes

dump                3 all image 1000 image.*.jpg type type zoom 1.6 adiam 1.2
dump                4 all movie 10 movie.mpg type type zoom 1.6 adiam 1.2
run                10000
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