# Nanhuai-X

> Open-source publisher. Listings imported from github.com/Nanhuai-X — credited to the original author with their license.

- **Listings:** 5
- **Total installs:** 0
- **Profile:** https://agentstack.voostack.com/s/nanhuai-x
- **Website:** https://github.com/Nanhuai-X

## Published listings

- [Gaussian Molecular Box](https://agentstack.voostack.com/l/skill-nanhuai-x-gaussian-molecule-workflow-gaussian-molecular-box) — Skill · Free · security-reviewed — `agentstack add skill-nanhuai-x-gaussian-molecule-workflow-gaussian-molecular-box`
  Export a Multiwfn molecular box PDB and render its length, width, and height as a PNG from Gaussian formatted checkpoint (.fch) files. Use for Gaussian FCH molecular dimensions and box visualization.
- [Gaussian Molecule Workflow](https://agentstack.voostack.com/l/skill-nanhuai-x-gaussian-molecule-workflow-gaussian-molecule-workflow) — Skill · Free · security-reviewed — `agentstack add skill-nanhuai-x-gaussian-molecule-workflow-gaussian-molecule-workflow`
  Generate, validate, run, resume, and analyze finite-molecule Gaussian calculations from Chinese or English requests and XYZ, MOL V2000, SDF V2000, PDB, or PubChem molecule queries. Use for database structure retrieval with mandatory human structure confirmation, charge and multiplicity resolution, Gaussian/formchk execution, ESP surface extrema, HOMO/LUMO energies and cubes, ELF 2D/3D maps, molec…
- [Gaussian Elf](https://agentstack.voostack.com/l/skill-nanhuai-x-gaussian-molecule-workflow-gaussian-elf) — Skill · Free · security-reviewed — `agentstack add skill-nanhuai-x-gaussian-molecule-workflow-gaussian-elf`
  Generate electron-localization-function (ELF) cube files, a VMD three-dimensional isosurface image, and two-dimensional Multiwfn/Matplotlib plane maps from Gaussian formatted checkpoint (.fch) files. Use for Gaussian FCH ELF analysis and plots.
- [Gaussian Esp Vmd](https://agentstack.voostack.com/l/skill-nanhuai-x-gaussian-molecule-workflow-gaussian-esp-vmd) — Skill · Free · security-reviewed — `agentstack add skill-nanhuai-x-gaussian-molecule-workflow-gaussian-esp-vmd`
  Generate electron-density and electrostatic-potential (ESP) cube files from Gaussian formatted checkpoint (.fch) files with Multiwfn; optionally render ESP images in VMD and calculate ESP statistics. Use for Gaussian FCH ESP analysis.
- [Gaussian Frontier Orbitals](https://agentstack.voostack.com/l/skill-nanhuai-x-gaussian-molecule-workflow-gaussian-frontier-orbitals) — Skill · Free · security-reviewed — `agentstack add skill-nanhuai-x-gaussian-molecule-workflow-gaussian-frontier-orbitals`
  Determine and export HOMO and LUMO cube files from Gaussian formatted checkpoint (.fch) files using Multiwfn, with optional VMD images and energy data. Use for closed-shell Gaussian FCH frontier-orbital analysis.

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Seller on AgentStack — the marketplace for AI agent skills and MCP servers. Every listing is security-reviewed. Install any with `agentstack add <slug>`.