[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. |