2024-02-26 13:27:16 +01:00
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# Installation
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## Install n2v
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conda create -n dft
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conda activate dft
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conda install -c psi4 psi4
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pip install ntov
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## Patch n2v
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2024-02-26 13:32:37 +01:00
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bash patch_n2v.sh
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To restore the original files:
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bash patch_n2v.sh reset
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2024-02-26 13:27:16 +01:00
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## Install libxc
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bash install_libxc.sh
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