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This repo contains codes for QEq energy and force calculations, and the DP-QEq MD simulation

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Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
DP_QEq_ConstP.py		DP_QEq_ConstP.py
DP_QEq_ConstQ.py		DP_QEq_ConstQ.py
README.md		README.md
deepmd_pybind.so		deepmd_pybind.so

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DP-QEq

This repo contains a code for QEq energy and force calculations, and the DP-QEq MD simulation

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This repo contains codes for QEq energy and force calculations, and the DP-QEq MD simulation

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Python 100.0%