Paramus Catalog

Brain HPC Orca Single Point Submit

brain_hpc_orca_single_point_submit
requires license Calculations brain orca

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Submit async single-point energy calculation 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_single_point_submit

Submit async single-point energy calculation with ORCA.

Prompt: “Run submit using orca”

Usage notes

  • BRAIN Platform API: hpc.orca.single_point.submit
  • Requires active BRAIN connection
calculationsorcasingle_pointsubmit