victormurcia/DFT-Clustering
This code allows one to take a DFT calculation of NEXAFS spectra and generate a set of peaks that make up a Building Block model using a tensor based formalism.
IGOR ProMIT
This code allows one to take a DFT calculation of NEXAFS spectra and generate a set of peaks that make up a Building Block model using a tensor based formalism.
IGOR ProMIT