Brain HPC Multiwfn Aim
brain_hpc_multiwfn_aim
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Run Multiwfn Atoms in Molecules (AIM) topological analysis. Finds bond critical points, ring critical points, and characterizes chemical bonding through electron density topology.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Wavefunction file content or path (.wfn, .wfx, .fchk, .molden format). Typically generated by a prior QM calculation (PySCF, ORCA, Psi4). |
Examples
Example Multiwfn hpc multiwfn aim
Analyzing chemical bonding through electron density topology
Prompt: “Perform AIM topological analysis on this wavefunction”
brain_hpc_multiwfn_aim(input_data=...)Example Multiwfn hpc multiwfn aim documentation
Learning about Atoms in Molecules topological analysis methods
Prompt: “Show the documentation for AIM analysis”
brain_hpc_multiwfn_aim_documentation(input_data=...)Example Multiwfn hpc multiwfn aim examples
Learning from practical examples of topological bonding analysis
Prompt: “Show me examples of AIM analysis”
brain_hpc_multiwfn_aim_examples(input_data=...)Example Multiwfn hpc multiwfn aim usage guide
Getting started with Atoms in Molecules topological analysis
Prompt: “How do I use AIM analysis in Multiwfn?”
brain_hpc_multiwfn_aim_usage_guide(input_data=...)Usage notes
- Multiwfn HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
AIMELFExampleHOMOLUMONCIaimbandgapelectron densitymolecular orbitalmultiwfnpopulation analysiswavefunctionwavefunction analysis