steer
Control a running simulation by pausing, resuming, aborting, or adjusting parameters like force maximum, optimizer, temperature, and climbing image for NEB.
Instructions
Steer a running job mid-flight.
command is one of: pause, resume, abort, set_fmax, switch_optimizer, set_temperature, set_climb. Use value for set_fmax / set_temperature, optimizer for switch_optimizer (FIRE / LBFGS / BFGS), and set_climb to enable the climbing image on a NEB (value 0/1, default on).
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| job_id | Yes | ||
| command | Yes | ||
| value | No | ||
| optimizer | No |