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QuAcK

Contributors: - Pierre-Francois Loos - Enzo Monino - Antoine Marie - Anthony Scemama

What is it?

Installation guide

The QuAcK software can be downloaded on GitHub as a Git repository

git clone https://github.com/pfloos/QuAcK.git

Then, one must define the variable QCMATH_ROOT and install PySCF using pip

pip install pyscf

PySCF is used for the computation of one- and two-electron integrals.

Quick start