Brain HPC Psi4 Methods
brain_hpc_psi4_methods
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Get PSI4 RPC methods inventory (Layer 5).
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example Psi4 hpc psi4 methods
Use when needing to discover available quantum chemistry methods (HF, DFT, MP2, CC, etc.) supported by the PSI4 platform.
Prompt: “What computational methods are available in PSI4?”
brain_hpc_psi4_methods(input_data=...)Usage notes
- Psi4 HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
DFTExamplePsi4SCFab initioquantum chemistrywavefunction