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1. cp2k-basis cp2k-basis Public

   A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.

   Python 3 1

2. ec-interface ec-interface Public

   Code to create EC interface calculations with VASP and extract data

   Python 3

3. phonopy-vibspec phonopy-vibspec Public

   Simulate IR and Raman spectra with Phonopy

   Python 1

4. publi-ECOBAT-XPS publi-ECOBAT-XPS Public

   A publication about the binding energies (via XPS spectroscopy) of molecules grafted onto calcium surfaces

   TeX

5. publi-ECOBAT-nitroxides publi-ECOBAT-nitroxides Public

   A publication about nitroxides (aminoxyls) and their redox potential in solution (including electrolytes and ion-pairs), by Dr. P. Beaujean.

   PostScript

6. AM-Nihoul-website AM-Nihoul-website Public

   Code source du site web de l'association Anne-Marie Nihoul

   Python