Brain HPC Nwchem Version
brain_hpc_nwchem_version
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Get NWChem program version from Docker container
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example NWChem hpc nwchem version
Checking quantum chemistry software version for compatibility
Prompt: “What version of NWChem is installed?”
brain_hpc_nwchem_version(input_data=...)Usage notes
- NWChem HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
AIMDExamplenwchemparallel computingplane wavequantum chemistryversion