Brain HPC Orca Optimize Submit
brain_hpc_orca_optimize_submit
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Submit async geometry optimization with ORCA.
This tool wraps the orca package, which requires a valid third-party license. Availability depends on your Paramus deployment and license entitlements.
Examples
Example brain_hpc_orca_optimize_submit
Submit async geometry optimization with ORCA.
Prompt: “Run submit using orca”
Usage notes
- BRAIN Platform API: hpc.orca.optimize.submit
- Requires active BRAIN connection
calculationsorcasubmit