lammps/python/examples/in.mc

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# problem setup for Monte Carlo relaxation of perturbed 2d hex lattice
# same as example/MC/in.mc
units lj
atom_style atomic
atom_modify map array sort 0 0.0
dimension 2
lattice hex 1.0
region box block 0 10 0 5 -0.5 0.5
create_box 1 box
create_atoms 1 box
mass 1 1.0
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
pair_modify shift yes
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes