Brain HPC Pyscf Version
brain_hpc_pyscf_version
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Get PySCF version information from BRAIN HPC platform.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example PySCF hpc pyscf version
Use when verifying PySCF version for compatibility, method availability, or publication citations.
Prompt: “What version of PySCF is installed on BRAIN HPC?”
brain_hpc_pyscf_version(input_data=...)Usage notes
- PySCF HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
DMRGExamplePySCFPython QCperiodic DFTquantum chemistryversion