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@dftfeDevelopers

dftfeDevelopers

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  1. dftfe dftfe Public

    DFT-FE: Real-space DFT calculations using Finite Elements

    C++ 160 45

  2. dftfe-benchmarks dftfe-benchmarks Public

    Gnuplot 5 3

  3. dft-efe dft-efe Public

    Real-space DFT calculations using Enriched Finite Elements(EFE)

    C++ 8 3

  4. install_DFTFE install_DFTFE Public

    Installation and run scripts for https://github.com/dftfeDevelopers/dftfe on various machines (OLCF Frontier, NERSC Perlmutter, ALCF Polaris, UMICH Greatlakes)

    Shell 2 5

  5. mlxc mlxc Public

    A repository of machine-learning (ML) based exchange-correlation (XC) functionals

    4

  6. invDFT invDFT Public

    A finite-element based CPU-GPU tool for accurate inverse DFT calculations

    C++ 7

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