THEOS, EPFL

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1. koopmans koopmans Public

   Implementation of Koopmans-compliant functionals in Quantum ESPRESSO

   Python 17 7

2. aiida-defects aiida-defects Public

   A plugin for the AiiDA platform providing workflows for calculations with defects

   Python 11 1

3. aiida-flipper aiida-flipper Public

   The AiiDA plugin for Quantum ESPRESSO Pinball.

   Python 3 1

4. koopmans-qe-utils koopmans-qe-utils Public

   Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO

   Fortran 3

5. koopmans-kcp koopmans-kcp Public

   Implementation of Koopmans functionals with full orbital optimization in Quantum ESPRESSO v4.1

   Fortran 1

6. r4-project r4-project Public

   Code relating to the scientific "Rule of 4" project. Project led by Elena Gazzarrini and managed by Simon Adorf.

   Jupyter Notebook