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    13 repositories

    • EQeq

      Public
      Charge equilibration method for crystal structures
      C++
      •
      GNU General Public License v2.0
      •16•3•6•1•Updated Jul 18, 2024Jul 18, 2024

    • ch420

      Public
      Resources for course CH-420 Understanding Advanced Molecular Simulation
      Jupyter Notebook
      •1•1•1•0•Updated Apr 30, 2024Apr 30, 2024

    • ch-315

      Public
      Jupyter Notebook
      •
      MIT License
      •1•0•0•0•Updated Sep 27, 2023Sep 27, 2023

    • aiida-lsmo

      Public
      AiiDA workflows for the LSMO laboratory at EPFL
      Python
      •
      Other
      •13•10•3•7•Updated Sep 8, 2023Sep 8, 2023

    • aiida-qeq

      Public
      AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).
      Python
      •
      MIT License
      •2•3•1•0•Updated Sep 6, 2023Sep 6, 2023

    • aiidalab-epfl-lsmo

      Public
      Jupyter Notebook
      •7•0•3•0•Updated Sep 6, 2023Sep 6, 2023

    • aiida-zeopp

      Public
      AiiDA plugin for zeo++
      Python
      •
      Other
      •8•5•1•0•Updated Aug 27, 2023Aug 27, 2023

    • aiida-raspa

      Public
      The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
      Python
      •
      Other
      •8•11•7•1•Updated Aug 27, 2023Aug 27, 2023

    • aiida-ddec

      Public
      AiiDA plugin for the DDEC code
      Python
      •
      MIT License
      •7•1•2•0•Updated Aug 27, 2023Aug 27, 2023

    • zeopp-lsmo

      Public
      zeo++ fork of the LSMO
      zeolitesmetal-organic-frameworksnanopore-analysis-pipelinecovalent-organic-frameworks
      C++
      •
      Other
      •4•9•3•2•Updated Dec 19, 2022Dec 19, 2022

    • aiida-lsmo-setup

      Public
      Scripts to set up an AiiDA environment for LSMO members.
      Shell
      •3•0•0•0•Updated May 18, 2022May 18, 2022

    • aiida-lsmo-codes

      Public
      Collection of compiled binaries for LSMO's computers
      Makefile
      •4•0•5•0•Updated Nov 24, 2021Nov 24, 2021

    • curated-cofs-submission

      Public
      Interactive form for submitting new entries to the CURATED COFs database.
      Python
      •
      Other
      •0•1•2•0•Updated Jun 14, 2021Jun 14, 2021