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homogeneize files and .tex format with other tutorial
1 parent ddfd69d commit 54fce36

20 files changed

Lines changed: 94 additions & 75 deletions

files/tutorial8/mixing.lmp

Lines changed: 1 addition & 48 deletions
Original file line numberDiff line numberDiff line change
@@ -11,53 +11,6 @@ bond_style class2
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dihedral_style class2
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improper_style class2
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special_bonds lj/coul 0 0 1
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pair_modify tail yes mix sixthpower
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special_bonds lj/coul 0 0 1
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read_data CNT.data group CNT &
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extra/special/per/atom 20
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molecule styrene styrene.lmpmol
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create_atoms 0 random 200 8305 NULL overlap 2.75 &
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maxtry 500 mol styrene 7687
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minimize 1.0e-4 1.0e-6 100 1000
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velocity all create 300.0 4928459 dist gaussian &
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rot yes loop local
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fix 1 all nvt temp 300 300 100
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fix 2 all deform 1 y erate -0.0001 &
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z erate -0.0001
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variable rho equal density
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fix 3 all halt 10 v_rho > 0.9 error continue
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thermo 500
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thermo_style custom step temp pe etotal press &
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density
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run 9000
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unfix 2
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unfix 3
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reset_timestep 0
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dump mydmp all image 1000 dump.mixing.*.ppm &
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type type shiny 0.1 box no 0.01 &
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view 90 0 zoom 1.5 fsaa yes bond atom 0.5
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dump_modify mydmp backcolor white &
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acolor cp gray acolor c=1 gray &
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acolor c= gray acolor c1 gray &
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acolor c2 gray acolor c3 gray &
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adiam cp 0.3 adiam c=1 0.3 &
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adiam c= 0.3 adiam c1 0.3 &
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adiam c2 0.3 adiam c3 0.3 &
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acolor hc white adiam hc 0.15
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run 9999
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fix centralize CNT recenter 0 0 0 units box shift all
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run 1
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write_data CNT-PS-mix.data

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