dft_zmp/README.md
2024-02-26 13:32:37 +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 patch_n2v.sh
To restore the original files:
bash patch_n2v.sh reset
## Install libxc
bash install_libxc.sh