forked from lijiext/lammps
21 lines
415 B
Plaintext
21 lines
415 B
Plaintext
# author: sjplimp@sandia.gov
|
|
# packaged:
|
|
# 3d Lennard-Jones melt
|
|
log log.melt
|
|
thermo_modify format float %22.16g
|
|
units lj
|
|
atom_style atomic
|
|
lattice fcc 0.8442
|
|
region box block 0 10 0 10 0 10
|
|
create_box 1 box
|
|
create_atoms 1 box
|
|
mass 1 1.0
|
|
velocity all create 3.0 87287
|
|
pair_style lj/cut 2.5
|
|
pair_coeff 1 1 1.0 1.0 2.5
|
|
neighbor 0.3 bin
|
|
neigh_modify every 20 delay 0 check no
|
|
fix 1 all nve
|
|
thermo 50
|
|
run 250
|