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Development · jinzhezenggroup/computational-chemistry-agent-skills
1 skill found.
Skills
| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.Gjf Flux Assemble and extract Gaussian .gjf input file sections (directives, route, title, molecule blocks, appendices) and build single- or multi-step Link1 jobs from modular component files. | jinzhezenggroup/ | 148 | — | ~2k | Automated safety check: Pass | LGPL-3.0-or-later | 2 days ago |
