Brain HPC Psi4 Version
brain_hpc_psi4_version
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Get PSI4 program version from Docker container (v1.6)
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example Psi4 hpc psi4 version
Use when verifying PSI4 installation version for compatibility, citing software versions, or troubleshooting.
Prompt: “What version of PSI4 is running on the HPC platform?”
brain_hpc_psi4_version(input_data=...)Usage notes
- Psi4 HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
DFTExamplePsi4SCFab initioquantum chemistryversionwavefunction