[LAMMPS] section
[LAMMPS] section is required only if you use LAMMPS (calc_code = LAMMPS)
| Name | Value | Default | Description |
|---|---|---|---|
lammps_infile | str | File name of LAMMPS input file. | |
lammps_outfile | str | File name of LAMMPS output file. | |
lammps_potential | str [str …], None | None | Potential. |
lammps_data | str | File name of LAMMPS data file. |