The current behaviour of prepare_qe appears to leave no spaces between the end of one command (.slurm) and the start of the next (sbatch) in qe_all.sh, so this adds a new line between each submission command to fix this.
Also added a fix to prevent duplication of commands, both when prepare_qe is run repeatedly, and between different .slurm files, as described in #18.
Resolves #18
The current behaviour of
prepare_qeappears to leave no spaces between the end of one command (.slurm) and the start of the next (sbatch) inqe_all.sh, so this adds a new line between each submission command to fix this.Also added a fix to prevent duplication of commands, both when
prepare_qeis run repeatedly, and between different.slurmfiles, as described in #18.