[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. |