Overview
@gd/gp
DSH (DeepSeek Harness) plugin for Gaussian 16: input generation, SMILES-to-3D (RDKit), output parsing, serial job management, BSE basis sets, Multiwfn/VMD post-processing (orbital/ESP/RDG).
README / EN
Package documentation
Registry summary
DSH (DeepSeek Harness) plugin for Gaussian 16: input generation, SMILES-to-3D (RDKit), output parsing, serial job management, BSE basis sets, Multiwfn/VMD post-processing (orbital/ESP/RDG).
dsh.pub verifies the pinned bundle contract, runtime facts, and distribution semantics. The complete README remains in the source repository.
Read the full README on GitHubLIMITATIONS
Known limitations
- 目前仅在 **Windows + Gaussian 16 + Multiwfn 3.8** 上测试过； - 后处理出图主要在小体系上端到端验证，大体系建议先小测； - `sobko_search` / `sobko_fetch` 两个工具依赖作者本地部署的知识库（Ollama + 1700 篇论文索引），**其他用户这两个工具不可用**，忽略即可； - Gaussian/Multiwfn/VMD 是商业/专有软件，本插件不包含它们，也不提供下载。