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  1. kaldo kaldo Public

    Anharmonic Lattice Dynamics

    Python 125 23

  2. water_ice_nep water_ice_nep Public

    Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"

    Jupyter Notebook 11 2

  3. MC-SPS MC-SPS Public

    Monte Carlo Site Permutation Search

    Python 4

  4. MACE-Multiple-Walkers-Metadynamics-ASE-PLUMED MACE-Multiple-Walkers-Metadynamics-ASE-PLUMED Public

    4

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  • kaldo Public

    Anharmonic Lattice Dynamics

    nanotheorygroup/kaldo’s past year of commit activity
    Python 125 BSD-3-Clause 23 1 1 Updated Dec 14, 2024
  • MACE-Multiple-Walkers-Metadynamics-ASE-PLUMED Public
    nanotheorygroup/MACE-Multiple-Walkers-Metadynamics-ASE-PLUMED’s past year of commit activity
    4 0 0 0 Updated Oct 14, 2024
  • MC-SPS Public

    Monte Carlo Site Permutation Search

    nanotheorygroup/MC-SPS’s past year of commit activity
    Python 4 0 0 0 Updated Apr 12, 2024
  • water_ice_nep Public

    Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"

    nanotheorygroup/water_ice_nep’s past year of commit activity
    Jupyter Notebook 11 2 0 0 Updated Nov 5, 2023

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