Paramus Catalog

Brain HPC Orca Kernel Start

brain_hpc_orca_kernel_start
requires license Electronic Structure brain orca

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Start an interactive shell session in the ORCA Docker container for direct command-line access.

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 no Optional custom session identifier

Examples

Start ORCA session

User wants to run multiple ORCA calculations interactively and needs to start a persistent container session.

Prompt: “Start an interactive ORCA shell session for running multiple quantum chemistry calculations.”

brain_hpc_orca_kernel_start(session_id='orca_analysis_1')

Related tools

DFTStartTDDFTexcited stateskernelorcaquantum chemistrysessionspectroscopy