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Cartographie et routage dans l'ENS de Lyon

This python module contains utilities to manipulate batches of DFT and DFTB calculations with a certain level of abstraction. It also contains a wide part dedicated to the prediction and manipulation of repulsion curves for DFTB Slater-Koster files.

This is the homework for the M2IF course CR16 "Graphs of High Chromatic Number" given by Marthe Bonamy and Stéphan Thomassé at ENS Lyon.