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lammpstutorials-inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/cnt_deformed.data

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lammpstutorials-inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/dump.lammpstrj

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lammpstutorials-inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/edge_force.dat

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lammpstutorials-inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/etot_vs_step.dat

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lammpstutorials-inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/input.lammps

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@@ -72,7 +72,7 @@ fix at2 all ave/time 10 10 100 f_mysf1[3] f_mysf2[3] file edge_force.dat
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dump mydmp all atom 1000 dump.lammpstrj
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thermo 1000
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thermo_modify temp Tmid line yaml
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thermo_modify temp Tmid
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timestep 0.0005
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run 5000

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