forked from lijiext/lammps
25 lines
357 B
Plaintext
25 lines
357 B
Plaintext
|
# DPD benchmark
|
||
|
|
|
||
|
|
units lj
|
||
|
|
atom_style atomic
|
||
|
|
communicate single vel yes
|
||
|
|
|
||
|
|
lattice fcc 3.0
|
||
|
|
region box block 0 20 0 20 0 20
|
||
|
|
create_box 1 box
|
||
|
|
create_atoms 1 box
|
||
|
|
mass 1 1.0
|
||
|
|
|
||
|
|
velocity all create 1.0 87287 loop geom
|
||
|
|
|
||
|
|
pair_style dpd 1.0 1.0 928948
|
||
|
|
pair_coeff 1 1 25.0 4.5
|
||
|
|
|
||
|
|
neighbor 0.5 bin
|
||
|
|
neigh_modify delay 0 every 1
|
||
|
|
|
||
|
|
fix 1 all nve
|
||
|
|
timestep 0.04
|
||
|
|
|
||
|
|
run 100
|