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1. bjmorgan/py-sc-fermi bjmorgan/py-sc-fermi Public

   py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic equilibrium (or quasi-equilibrium) given defect formation ener…

   Python 30 9

2. defectivator defectivator Public

   Tools for generating point defects and defect complexes in periodic crystal structures

   Python 7 2