forked from lijiext/lammps
29 lines
531 B
Plaintext
29 lines
531 B
Plaintext
# uniaxial NVT deformation of WCA fluid
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units lj
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atom_style atomic
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pair_style lj/cut 1.122562
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read_data data.wca
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pair_coeff 1 1 1.0 1.0
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pair_modify shift yes
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neighbor 0.5 bin
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neigh_modify delay 0
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change_box all triclinic
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fix 1 all nvt/uef temp 0.722 0.722 0.5 erate -0.5 -0.5
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fix 2 all momentum 100 linear 1 1 1
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#dump 1 all atom 25 dump.lammpstrj
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#dump 2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
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thermo_style custom step c_1_press[1] c_1_press[2] c_1_press[3]
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thermo 50
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run 10000
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