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level1/lennard-jones-fluid/my-first-input/input.lammps
@@ -44,16 +44,16 @@ pair_coeff 2 2 0.5 3.0
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# 4) Visualization
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thermo 10
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-thermo_style custom step temp pe ke etotal press
+thermo_style custom step etotal press
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# 5) Run
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minimize 1.0e-4 1.0e-6 1000 10000
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# PART B - MOLECULAR DYNAMICS
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-
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dump mydmp all atom 100 dump.lammpstrj
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thermo 50
+thermo_style custom step temp etotal pe ke press
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fix mynve all nve
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