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Repository for "Predicting Isomer and Spin-state Properties of Four-coordinate Transition Metal Complexes with Crystal Field Features"

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tetrahedral_geom_sse

installation instructions

clone the repository and change to its root directory:

git clone git@github.com:chcltchunk/tetrahedral_geom_sse.git
cd tetrahedral_geom_sse

Install the package to your local pip environment:

pip install -e .

About

Repository for "Predicting Isomer and Spin-state Properties of Four-coordinate Transition Metal Complexes with Crystal Field Features"

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