psi4-single-point-energy

SKILLWorkflowcommunity
v0.0.0ma-compbio-labApache-2.0Updated 5mo agoSource →

Use this skill to run a deterministic Psi4 single-point Hartree-Fock energy on a tiny water molecule. Do not use it for production quantum chemistry benchmarking or large basis-set studies.

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5mo agoLast update
Skill
Authorma-compbio-lab
Version0.0.0
LicenseApache-2.0
CategoryWorkflow
Formatsskill.md
PromptNot published
Compatibility
Claude✓ Supported
Cursor—
Copilot—
ChatGPT—
Gemini—
About

Use this skill to run a deterministic Psi4 single-point Hartree-Fock energy on a tiny water molecule. Do not use it for production quantum chemistry benchmarking or large basis-set studies.

Keywords
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