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mooninsky

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mooninsky

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units        metal
boundary     p p p
atom_style    atomic
lattice      fcc 3.52
region       box block -2 2 -2 2 -8 8
create_box    1 box
create_atoms  1 box
pair_style    eam
pair_coeff    * * Cu_u3.eam

neighbor      2.0 bin
neigh_modify  delay 5

region        lower block INF INF INF INF INF -6
region        upper block INF INF INF INF 6 INF

group         lower region lower
group         upper region upper
group         boundary union lower upper
group         mobile subtract all boundary

compute       new2 all centro/atom fcc
compute       new3 mobile temp

velocity      mobile create 300.0 4928459 temp new3

fix           1 all nve
fix           2 mobile temp/rescale 10 300.0 300.0 5.0 1.0
fix_modify    2 temp new3

velocity      lower set 0.0 0.0 0.4
velocity      upper set 0.0 0.0 -0.4

fix           3 lower setforce NULL NULL 0.0
fix           4 upper setforce NULL NULL 0.0

timestep       0.001
thermo_style    custom step temp pe etotal press vol
thermo          100
thermo_modify   temp new3
dump           2 all custom 200 dump.press id x y z c_new2
run              2000
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2Â¥2011-10-27 21:05:25
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mooninsky

Í­³æ (³õÈëÎÄ̳)

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3Â¥2011-11-02 12:07:44
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wanziwen

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