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Open Graph Description: Contribute to ICAMS/python-ace development by creating an account on GitHub.

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another repohttps://github.com/ICAMS/TensorPotential
https://github.com/ICAMS/python-ace#installation
thesehttps://pacemaker.readthedocs.io/en/latest/pacemaker/install/
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https://github.com/ICAMS/python-ace#citation
Bochkarev, A., Lysogorskiy, Y., Menon, S., Qamar, M., Mrovec, M. and Drautz, R. Efficient parametrization of the atomic cluster expansion. Physical Review Materials 6(1) 013804 (2022)https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.6.013804
Lysogorskiy, Y., Oord, C. v. d., Bochkarev, A., Menon, S., Rinaldi, M., Hammerschmidt, T., Mrovec, M., Thompson, A., Csányi, G., Ortner, C. and Drautz, R. Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon. npj Computational Materials 7(1), 1-12 (2021)https://www.nature.com/articles/s41524-021-00559-9
Drautz, R. Atomic cluster expansion for accurate and transferable interatomic potentials. Physical Review B, 99(1), 014104 (2019)https://journals.aps.org/prb/abstract/10.1103/PhysRevB.99.014104
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