Brain HPC Nwchem Info
brain_hpc_nwchem_info
Open in the interactive browser →
Get NWChem module information and capabilities
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example NWChem hpc nwchem info
Learning about NWChem capabilities before running calculations
Prompt: “Tell me about the NWChem module”
brain_hpc_nwchem_info(input_data=...)Usage notes
- NWChem HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
AIMDExampleinfonwchemparallel computingplane wavequantum chemistry