Paramus Catalog

Brain HPC Gamess Energy

brain_hpc_gamess_energy
requires license GAMESS documentation brain gamess

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Single-point energy calculation with GAMESS.

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

Parameters

NameTypeRequiredDescription
geometry string yes Molecular geometry (XYZ format). Accepts aliases: xyz.
method string no Method (RHF, UHF, DFT, MP2)
basis string no Basis set (6-31G*, cc-pVDZ, etc.)
charge integer no Molecular charge
multiplicity integer no Spin multiplicity
timeout string no Parameter timeout

Examples

Example brain_hpc_gamess_energy_documentation

Get full documentation for hpc.gamess.energy.

Prompt: “Run energy documentation using gamess”

Example brain_hpc_gamess_energy_examples

Get working examples for hpc.gamess.energy.

Prompt: “Run energy examples using gamess”

Example brain_hpc_gamess_energy_usage_guide

Get usage guide for hpc.gamess.energy.

Prompt: “Run energy usage guide using gamess”

Usage notes

  • BRAIN Platform API: hpc.gamess.energy_documentation
  • Requires active BRAIN connection
  • BRAIN Platform API: hpc.gamess.energy_examples
  • BRAIN Platform API: hpc.gamess.energy_usage_guide
documentationenergy_documentationenergy_examplesenergy_usage_guideexamplesgamess