Paramus Catalog

Brain HPC Gamess Hessian

brain_hpc_gamess_hessian
requires license GAMESS documentation brain gamess

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Hessian/frequency 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 no XYZ coordinates (should be optimized)
method string no Method (RHF, UHF, DFT)
basis string no Basis set
charge string no Parameter charge
multiplicity string no Parameter multiplicity
timeout string no Parameter timeout

Examples

Example brain_hpc_gamess_hessian_documentation

Get full documentation for hpc.gamess.hessian.

Prompt: “Run hessian documentation using gamess”

Example brain_hpc_gamess_hessian_examples

Get working examples for hpc.gamess.hessian.

Prompt: “Run hessian examples using gamess”

Example brain_hpc_gamess_hessian_usage_guide

Get usage guide for hpc.gamess.hessian.

Prompt: “Run hessian usage guide using gamess”

Usage notes

  • BRAIN Platform API: hpc.gamess.hessian_documentation
  • Requires active BRAIN connection
  • BRAIN Platform API: hpc.gamess.hessian_examples
  • BRAIN Platform API: hpc.gamess.hessian_usage_guide
documentationexamplesgamesshessian_documentationhessian_exampleshessian_usage_guide