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    4 repositories

    • kaldo

      Public
      Anharmonic Lattice Dynamics
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •23•125•1•1•Updated Dec 14, 2024Dec 14, 2024

    • MACE-Multiple-Walkers-Metadynamics-ASE-PLUMED

      Public
      0•4•0•0•Updated Oct 14, 2024Oct 14, 2024

    • MC-SPS

      Public
      Monte Carlo Site Permutation Search
      Python
      •0•4•0•0•Updated Apr 12, 2024Apr 12, 2024

    • water_ice_nep

      Public
      Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"
      Jupyter Notebook
      •2•11•0•0•Updated Nov 5, 2023Nov 5, 2023