28 lines
481 B
Plaintext
28 lines
481 B
Plaintext
units lj
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dimension 2
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read_data plane.data
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fix step all nve
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fix twod all enforce2d
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pair_style lj/smooth/linear 2.5
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pair_coeff * * 1.0 1.0
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pair_modify shift yes
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timestep 0.0005
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variable t equal time
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variable U equal pe
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variable K equal ke
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variable E equal "v_U + v_K"
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fix therm all print 25000 "$t $U $K $E" file thermo.plane.dat screen no
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dump traj all custom 1000000 dump.plane.gz id type x y z
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thermo_style custom time step temp pe ke etotal
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thermo 10000
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run ${STEPS}
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