ltalirz/asetk
Toolkit using the Atomistic Simulation Environment (ASE)
Diffusion solver, written for HPCSE II (2013)
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Toolkit using the Atomistic Simulation Environment (ASE)
An XML schema definition for the Unified Pseudopotential Format of the Quantum Espresso suite
N-body solver, written for HPCSE I (2013)
Utilities for manipulating Gaussian cube files for scanning tunneling microscopy/spectroscopy