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Happily coding
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Happily coding

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  1. hfcxx hfcxx Public

    Hartree-Fock C++ code

    C++ 29 16

  2. dftcxx dftcxx Public

    C++ based DFT program for educational purposes

    C++ 56 10

  3. edp edp Public

    Electron Density Plotter

    C++ 36 4

  4. den2obj den2obj Public

    Generate isosurface from density data

    C++ 12 3

  5. pyqint pyqint Public

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

    Python 26 8

  6. pydft pydft Public

    Python based localized-orbital Density Functional Theory code for educational purposes.

    Python 4