Paramus Catalog

Brain HPC Orca Kernel Execute

brain_hpc_orca_kernel_execute
requires license Electronic Structure brain orca

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Execute a command in an active ORCA shell session.

This tool wraps the orca package, which requires a valid third-party license. Availability depends on your Paramus deployment and license entitlements.

Parameters

NameTypeRequiredDescription
session_id string yes Session identifier from kernel.start
command string yes Shell command to execute

Examples

Execute ORCA Input File

Running a quantum chemistry calculation in an active ORCA session

Prompt: “Run an ORCA input file in the shell”

brain_hpc_orca_kernel_execute(session_id='sess123', command='orca input.inp')

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