Repositories list

• 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•9•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-pipeline+ 1covalent-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