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https://github.com/pfloos/quack
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409 B
409 B
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 QUACK_ROOT
. For
example,
export QUACK_ROOT=$HOME/Work/QuAcK
You must also install PySCF (for
example using pip
)
pip install pyscf
PySCF is used for the computation of one- and two-electron integrals (mainly).