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    9 repositories

    • dft-efe

      Public
      Real-space DFT calculations using Enriched Finite Elements(EFE)
      C++
      •
      GNU Lesser General Public License v3.0
      •3•8•1•1•Updated Dec 15, 2025Dec 15, 2025

    • invdft_helpers

      Public
      A motley of scripts to automate and simplify inverse DFT calculations using invDFT package (https://github.com/dftfeDevelopers/invDFT)
      Python
      •0•0•0•0•Updated Nov 26, 2025Nov 26, 2025

    • 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
      •5•2•0•0•Updated Nov 5, 2025Nov 5, 2025

    • dftfe

      Public
      DFT-FE: Real-space DFT calculations using Finite Elements
      cpluspluscudadensity-functional-theoryhigh-performance-computinghipfinite-elementsmaterial-sciencesycl
      C++
      •
      Other
      •43•152•0•0•Updated Oct 27, 2025Oct 27, 2025

    • invDFT

      Public
      An efficient and robust code to perform inverse DFT calculations
      C++
      •
      GNU Lesser General Public License v2.1
      •0•5•0•0•Updated Oct 8, 2025Oct 8, 2025

    • dftfe-benchmarks

      Public
      Gnuplot
      •3•5•0•0•Updated Aug 17, 2025Aug 17, 2025

    • mlxc

      Public
      A repository of machine-learning (ML) based exchange-correlation (XC) functionals
      GNU Lesser General Public License v2.1
      •0•2•0•0•Updated Jul 12, 2025Jul 12, 2025

    • dftfe-api

      Public
      C++
      •
      GNU Lesser General Public License v2.1
      •1•0•0•0•Updated May 6, 2024May 6, 2024

    • dealii

      Public
      The development repository for the deal.II finite element library.
      C++
      •
      Other
      •819•0•0•0•Updated Feb 11, 2024Feb 11, 2024