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Can we run MD simulations with LAMMPS using 4G-HDNNP trained model? #205

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omarumkc opened this issue Nov 14, 2024 · 0 comments
Open

Can we run MD simulations with LAMMPS using 4G-HDNNP trained model? #205

omarumkc opened this issue Nov 14, 2024 · 0 comments

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@omarumkc
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I read #122 #155 #157 and #180, and to my understanding the 4G-HDNNP-prediction branch is not final yet. I came across this paper and n2p2 + LAMMPS were used for 4G-HDNNP. Just wanted to know whether the branch is ready now. Thank you.
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