Brain HPC Gamess Mp2
brain_hpc_gamess_mp2
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MP2 perturbation theory 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
| Name | Type | Required | Description |
|---|---|---|---|
geometry |
string | no | XYZ coordinates |
basis |
string | no | Basis set (cc-pVDZ recommended) |
frozen_core |
boolean | no | Use frozen core approximation |
charge |
string | no | Parameter charge |
multiplicity |
string | no | Parameter multiplicity |
timeout |
string | no | Parameter timeout |
Examples
Example brain_hpc_gamess_mp2_documentation
Get full documentation for hpc.gamess.mp2.
Prompt: “Run mp2 documentation using gamess”
Example brain_hpc_gamess_mp2_examples
Get working examples for hpc.gamess.mp2.
Prompt: “Run mp2 examples using gamess”
Example brain_hpc_gamess_mp2_usage_guide
Get usage guide for hpc.gamess.mp2.
Prompt: “Run mp2 usage guide using gamess”
Usage notes
- BRAIN Platform API: hpc.gamess.mp2_documentation
- Requires active BRAIN connection
- BRAIN Platform API: hpc.gamess.mp2_examples
- BRAIN Platform API: hpc.gamess.mp2_usage_guide
documentationexamplesgamessmp2_documentationmp2_examplesmp2_usage_guide