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Pinned

  1. hfcxx hfcxx Public

    Hartree-Fock C++ code

    C++ 28 15

  2. dftcxx dftcxx Public

    C++ based DFT program for educational purposes

    C++ 52 9

  3. edp edp Public

    Electron Density Plotter

    C++ 32 4

  4. den2obj den2obj Public

    Generate isosurface from density data

    C++ 10 3

  5. pyqint pyqint Public

    Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations

    Python 21 6

  6. pytessel pytessel Public

    Python package for building isosurfaces from 3D scalar fields

    C++ 3 1