Skip to content
Change the repository type filter

All

    Repositories list

    • dft-efe

      Public
      Real-space DFT calculations using Enriched Finite Elements(EFE)
      C++
      GNU Lesser General Public License v3.0
      3811Updated Apr 27, 2026Apr 27, 2026
    • A motley of scripts to automate and simplify inverse DFT calculations using invDFT package (https://github.com/dftfeDevelopers/invDFT)
      Python
      0000Updated Apr 23, 2026Apr 23, 2026
    • dftfe

      Public
      DFT-FE: Real-space DFT calculations using Finite Elements
      C++
      Other
      4315700Updated Apr 16, 2026Apr 16, 2026
    • Installation and run scripts for https://github.com/dftfeDevelopers/dftfe on various machines (OLCF Frontier, NERSC Perlmutter, ALCF Polaris, UMICH Greatlakes)
      Shell
      5200Updated Mar 23, 2026Mar 23, 2026
    • Shell
      0000Updated Feb 26, 2026Feb 26, 2026
    • invDFT

      Public
      A finite-element based CPU-GPU tool for accurate inverse DFT calculations
      C++
      GNU Lesser General Public License v2.1
      0700Updated Jan 20, 2026Jan 20, 2026
    • Gnuplot
      3500Updated 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
      0400Updated Jul 12, 2025Jul 12, 2025
    • dftfe-api

      Public
      C++
      GNU Lesser General Public License v2.1
      1000Updated May 6, 2024May 6, 2024
    • dealii

      Public
      The development repository for the deal.II finite element library.
      C++
      Other
      850000Updated Feb 11, 2024Feb 11, 2024
    ProTip! When viewing an organization's repositories, you can use the props. filter to filter by custom property.