22 lines
278 B
Plaintext
22 lines
278 B
Plaintext
|
|
atom_style atomic
|
|
|
|
units lj
|
|
atom_style atomic
|
|
atom_modify sort 0 0.2
|
|
|
|
lattice fcc 0.8442
|
|
region box block 0 10 0 10 0 10
|
|
create_box 1 box
|
|
mass 1 1.0
|
|
fix 1 all nve
|
|
|
|
minimize 0.001 0.0001 1000.0 10000.0
|
|
|
|
run 10
|
|
|
|
run_style respa 1
|
|
|
|
run 10
|
|
|