Brain HPC Pyscf Capabilities
brain_hpc_pyscf_capabilities
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Get PySCF capabilities and supported features.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example PySCF hpc pyscf capabilities
Use when discovering available PySCF functionality, checking for specific method support, or planning calculation workflows.
Prompt: “What quantum chemistry features does PySCF support?”
brain_hpc_pyscf_capabilities(input_data=...)Usage notes
- PySCF HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
DMRGExamplePySCFPython QCcapabilitiesperiodic DFTquantum chemistry