Launching at directory workflow was added from

Atomate
1

Hi,
I really need calculation folders to be in very same folders from where I submit whether using python script or atwf. Could you please tell how to achieve it without rewriting all fireworks from scratch?

2

I solved it:
for python scripts, use (spec={"_launch_dir": “…”) as argument to firework
for yaml files,

  • fw: atomate.vasp.fireworks.core.OptimizeFW
    params:
    spec:
    _launch_dir: /home/youjin/calculations/vasp/Si_hse/opt