gjankowiak/dft_zmp
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dft_zmp/README.md
Gaspard Jankowiak 4143cae72f add README
2024-02-26 13:27:16 +01:00

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Installation

Install n2v

conda create -n dft
conda activate dft
conda install -c psi4 psi4
pip install ntov

Patch n2v

bash python_n2v.sh

Install libxc

bash install_libxc.sh