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PyKMC

License: Free ‎File size: N/A
‎Users Rating: 4.0/5 - ‎1 ‎votes

ABOUT PyKMC

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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