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do the deepmd tests with NEQUIP #34

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mtaillefumier opened this issue Mar 15, 2024 · 0 comments

mtaillefumier commented Mar 15, 2024

Repeat the AlCl3 and NUC tests with NEQUIP if possible or find other published structures that we can treat both with deepmd and NEQUIP.

test if NEQUIP has deterministic behavior
No idea how long it will take for now.

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