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    16 repositories

    • aiida-qe-xspec

      Public
      An AiiDA plugin designed for core-level spectroscopy calculations using Quantum ESPRESSO
      aiidaquantum-espressox-ray-absorption-spectroscopy
      aiidaquantum-espressox-ray-absorption-spectroscopyx-ray-photoelectron-spectroscopy
      Python
      •
      MIT License
      •3•0•4•0•Updated Jul 28, 2026Jul 28, 2026

    • aiida-lammps

      Public
      LAMMPS plugin for AiiDA
      pluginlammpsaiida
      pluginlammpsaiida
      Python
      •
      MIT License
      •16•28•5•7•Updated Jul 27, 2026Jul 27, 2026

    • aiida-dftk

      Public
      AiiDA plugin for DFTK
      Python
      •
      MIT License
      •0•4•5•1•Updated Jul 25, 2026Jul 25, 2026

    • aiida-epw

      Public
      AiiDA plugin package for interfacing with the Electron Phonon Wannier (EPW) code.
      Python
      •
      Other
      •5•1•8•11•Updated Jul 14, 2026Jul 14, 2026

    • aiida-skeaf

      Public
      AiiDA plugin for the Supercell K-space Extremal Area Finder (SKEAF) code
      aiidaskeaf
      aiidaskeaf
      Python
      •
      MIT License
      •1•0•2•0•Updated Jun 22, 2026Jun 22, 2026

    • aiida-bader

      Public
      AiiDA plugin for Bader charge analysis
      aiidachargequantum-espresso
      aiidachargequantum-espressocp2kbader
      Python
      •
      MIT License
      •2•3•1•0•Updated Jun 3, 2026Jun 3, 2026

    • aiida-mechanical

      Public
      Plugin for the thermo_pw code of Quantum ESPRESSO
      Python
      •
      Other
      •1•0•0•0•Updated May 26, 2026May 26, 2026

    • aiida-flexpart

      Public
      AiiDA plugin for the FLEXPART code (simulation of atmospheric transport processes)
      Python
      •
      MIT License
      •0•4•2•1•Updated Sep 27, 2024Sep 27, 2024

    • aiida-ase

      Public
      AiiDA plugin for ASE
      Python
      •
      MIT License
      •11•5•0•0•Updated Sep 5, 2024Sep 5, 2024

    • aiida-yambo-wannier90

      Public
      Plugin to combine Wannier90 interpolations with GW corrections computed by Yambo
      Python
      •
      MIT License
      •1•0•3•0•Updated Feb 19, 2024Feb 19, 2024

    • aiida-wien2k

      Public
      WIEN2k plug-in for AiiDA workflow management
      density-functional-theoryequation-of-statewien2k
      density-functional-theoryequation-of-statewien2kcommon-workflowsaiida-plugin
      Python
      •
      MIT License
      •1•3•0•0•Updated Dec 22, 2023Dec 22, 2023

    • wien2k-docker

      Public
      Docker stack for testing WIEN2k
      Dockerfile
      •0•0•0•0•Updated Sep 19, 2023Sep 19, 2023

    • aiida-crystal17

      Public
      A plugin for AiiDA, to run the CRYSTAL17 code
      Python
      •
      GNU Lesser General Public License v3.0
      •4•5•3•0•Updated Sep 3, 2021Sep 3, 2021

    • .github

      Public
      Community health files: Contributing guidelines, Code of Conduct, ...
      MIT License
      •0•0•0•0•Updated Sep 18, 2020Sep 18, 2020

    • aiida-gulp

      Public
      AiiDA plugin for use with GULP
      Python
      •
      GNU Lesser General Public License v3.0
      •0•0•0•0•Updated Oct 30, 2019Oct 30, 2019

    • aiida-cx1scheduler

      Public
      An aiida scheduler for the Imperial College London cx1 HPC
      Python
      •
      MIT License
      •2•1•0•0•Updated Jul 24, 2019Jul 24, 2019
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