Brain HPC Multiwfn Comprehensive
brain_hpc_multiwfn_comprehensive
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Perform comprehensive wavefunction analysis workflow.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example Multiwfn hpc multiwfn comprehensive
Performing full electronic structure analysis including charges, bonds, and orbitals
Prompt: “Run a comprehensive wavefunction analysis”
brain_hpc_multiwfn_comprehensive(input_data=...)Usage notes
- Multiwfn HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
AIMELFExampleNCIcomprehensivemultiwfnpopulation analysiswavefunction analysis