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Some scripts for DPGEN in investigating FAPbI

GPL-3.0 license

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Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
LICENSE		LICENSE
README.md		README.md
model_devi.py		model_devi.py
step1-SCF.sh		step1-SCF.sh
step2-energy.py		step2-energy.py
step3-force.py		step3-force.py

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DPGEN-script

Some scripts for DPGEN in investigating FAPbI

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Some scripts for DPGEN in investigating FAPbI

GPL-3.0 license

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