Brain HPC Gamess Capabilities
brain_hpc_gamess_capabilities
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Get GAMESS capabilities and supported features
This tool wraps the gamess package, which requires a valid third-party license. Availability depends on your Paramus deployment and license entitlements.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Get GAMESS capabilities
Exploring quantum chemistry capabilities before running calculations.
Prompt: “What can GAMESS do?”
brain_hpc_gamess_capabilities(input_data=...)
Usage notes
- GAMESS HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
Hartree-FockMCSCFab initiocapabilitiesgamessquantum chemistry