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561 B
561 B
QuAcK
Contributors: - Pierre-Francois Loos - Enzo Monino - Antoine Marie
What is it?
Installation guide
The QuAcK software can be downloaded on GitHub as a Git repository
git clone https://github.com/pfloos/qcmath.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.