cc_staff
415
edits
LAMMPS: Difference between revisions
→Scripts for running LAMMPS
| Line 103: | Line 103: | ||
pair_style lj/cut 2.5 | pair_style lj/cut 2.5 | ||
pair_coeff 1 1 1.0 1.0 2.5 | pair_coeff 1 1 1.0 1.0 2.5 | ||
neighbor 0.3 bin | neighbor 0.3 bin | ||
neigh_modify delay 5 every 1 | neigh_modify delay 5 every 1 | ||
fix 1 all nve | fix 1 all nve | ||
thermo 5 | thermo 5 | ||
run 10000 | run 10000 | ||
write_data config.end_sim | write_data config.end_sim | ||