JuDFTteam / best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
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Add project: mag-ace #270

Closed Irratzo closed 1 month ago

Irratzo commented 5 months ago

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From publication, section "CODE AVAILABILITY", URL:

The magnetic ACE presented in the manuscript was evaluated and parameterized with a magnetic version of the PACEmaker code33. The magnetic ACE implementation is not yet distributed with PACEmaker, but we plan to make it available in a future release. A Fortran evaluator code interfaced with the SPIN package of LAMMPS is available from https://github.com/mttrin93/mag-ace.