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pyscf-quantum-chemistry

PySCF quantum chemistry skill for molecular calculations, coupled cluster, and multireference methods

View Sourcecomputational-chemistry
a5c-ai
maintainer
a5c-ai
Updated 3/25/2026
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538
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quick start

Installation and usage

PySCF quantum chemistry skill for molecular calculations, coupled cluster, and multireference methods

Installation
$ install --globalskills.sh
Usage

Once installed, you can use this skill by running the following command in your terminal:

skills use pyscf-quantum-chemistry