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bjmorgan / py-sc-fermi

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 energies.
MIT License
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Develop #6

Closed alexsquires closed 2 years ago

alexsquires commented 2 years ago

removed caching of kT

alexsquires commented 2 years ago

This allows for straightforward modifying of the temperature of a DefectSystem object, and no longer replicates the caching of kT found in SC-Fermi