cyrusyc
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mace-universal

Machine Learning Interatomic Potential

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mace-universal / tests /lammps

4.53 kB

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History: 3 commits

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upload new medium with calibrated isolated atomic reference energies

507ff9b over 1 year ago

build-structure.py
264 Bytes

upload new medium with calibrated isolated atomic reference energies over 1 year ago
in.lammps
466 Bytes

upload new medium with calibrated isolated atomic reference energies over 1 year ago
initial.data
2.99 kB

add lammps tests: success over 1 year ago
log.lammps
813 Bytes

upload new medium with calibrated isolated atomic reference energies over 1 year ago