start_relaxation
Begin a geometry optimization job in the background with options for optimizer, convergence, cell relaxation, and step delay. Monitor progress via polling and adjust settings mid-run.
Instructions
Start a geometry optimization in the background; returns immediately.
Poll get_status to watch progress, and steer() to change fmax, switch optimizer, pause or abort mid-run. Set relax_cell=True to also relax the cell. step_delay (seconds) throttles steps — useful with fast calculators so you have time to observe and react between steps.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| structure_id | Yes | ||
| calculator_id | Yes | ||
| optimizer | No | FIRE | |
| fmax | No | ||
| steps | No | ||
| relax_cell | No | ||
| step_delay | No |