forked from lijiext/lammps
23 lines
419 B
MonkeyC
23 lines
419 B
MonkeyC
# 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
|