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  1. pymatgen pymatgen Public

    Forked from materialsproject/pymatgen

    Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

    Python 1

  2. UppASD UppASD Public

    Forked from UppASD/UppASD

    The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.

    Fortran

  3. TB2J TB2J Public

    Forked from mailhexu/TB2J

    a python package for computing magnetic interaction parameters

    Python

  4. Occupation-matrix-control-in-VASP Occupation-matrix-control-in-VASP Public

    Forked from WatsonGroupTCD/Occupation-matrix-control-in-VASP

    Occupation matrix control modification VASP

  5. sqs2poscar sqs2poscar Public

    Forked from c-niu/sqs2poscar

    A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.

    C++

  6. Hands-On-Quantum-Machine-Learning-With-Python-Vol-1 Hands-On-Quantum-Machine-Learning-With-Python-Vol-1 Public

    Forked from quantum-machine-learning/Hands-On-Quantum-Machine-Learning-With-Python-Vol-1

    Jupyter Notebook