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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

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Location for LAMMPS script

wcwitt opened this issue · comments

commented

Hi @ilyes319 @bernstei, I just realized the create_lammps_model.py script was moved to /mace/cli/. Was that intentional? If so, I just need to update the LAMMPS instructions. Relates to #203.

commented

Ah, I've just seen #198. Thanks. We can close when #198 is merged.

commented

ok it is merged, sorry for the delay. We can close it now.