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1. publi-ECOBAT-EI publi-ECOBAT-EI Public

   A publication about the reaction at Calcium electrode interface, using GC-DFT

   TeX

2. publi-ECOBAT-XPS publi-ECOBAT-XPS Public

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

   TeX

3. ec-interface ec-interface Public

   Code to create EC interface calculations with VASP and extract data

   Python 4

4. phonopy-vibspec phonopy-vibspec Public

   Simulate IR and Raman spectra with Phonopy

   Python 5 1

5. 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 6 1

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

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

   Python