run-gauss
OfficialGuide Gaussian runs with env checks and templates.
Authorjinzhezenggroup
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Organizes Gaussian job execution by providing environment checklists, scratch-directory management, and ready-to-use command templates.
Core Features & Use Cases
- Environment checklists to validate paths, modules, and prerequisites.
- Working directory and scratch management for local and HPC runs.
- Prebuilt Gaussian command templates to launch .gjf jobs efficiently.
Quick Start
Specify run location, Gaussian executable, input file, and scratch directory to generate a ready-to-run execution template.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: run-gauss Download link: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/archive/main.zip#run-gauss Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
Agent Skills Search Helper
Install a tiny helper to your Agent, search and equip skill from 471,000+ vetted skills library on demand.