[basic] section
| Name | Value | Default | Description |
|---|---|---|---|
algo |
RS, EA, BO, LAQA |
Algorithm | |
calc_code |
VASP, QE, OMX, soiap, LAMMPS |
Caluculation code for structure optimization | |
tot_struc |
int | The total number of structures | |
nstage |
int | The number of stages | |
njob |
int | The number of jobs running at the same time. | |
jobcmd |
str | Command to submit jobs such as qsub and sbatch. | |
jobfile |
str | File name of the job file. |