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PyKMC

Posted on by Robin Ding Leave a comment Projects

PyKMC is a work in progress on-the-fly kinetic Monte Carlo package. It currently allows for automatic defect-decomposition, lattice minimisation, NEB and String saddle point calculations and RAT transition searches – using LAMMPS or LBOMD.

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Website http://pykmc.sourceforge.net
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License MIT License
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