KMC_run.py
Python wrapper to launch kMC jobs concurrently
compute_msd.py
Compute mean square displacement (msd) vs. time and diffusivities from the kMC outputs.
msd.f90
F90 code used to perform the numerically intensive mean square displacement computation. Compiled using f2py and used in compute_msd.py
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Run OKMC kinetic montecarlo code and compute the diffusion coefficient
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