Claude Code
Codex
Cursor
GitHub Copilot
Gemini CLIAbout this skill
Use when running molecular quantum chemistry calculations in Python. Computes single-point energies, optimized geometries, vibrational frequencies, and population analysis using HF, DFT, or MP2 methods.
Quick start
- Copy the install prompt. Use the green button above this README.
- Send it to your agent. Paste it into your coding agent’s chat and send.
- Review the setup. Your agent checks the skill’s instructions, requirements, and installation scope.
Review, license & listing details
Review the source before using this skill
This is an imported listing. We haven’t certified its safety, license, or compatibility. Skills may include executable scripts.
Automated security scan: Partial
Only SKILL.md was scanned. Supporting files and scripts were not checked. No safety grade has been assigned.
0 potential findings · Scanned 11/4/2026 · Scanner 0.2.1
Content SHA-256: fd835eb57d624ca72747c956a118db48e701d08edc76125425e9e26b95d86de8
About this listing
- Category
- Science & research
- Reported license
- Apache-2.0
- Listing language (estimated)
- English
- Review status
- Not individually reviewed
- Agent compatibility
- Atlas installation supports Claude Code, Codex, and Cursor. Skill-specific dependencies and features are checked during setup.