PyKMC

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Last Update: 2015-12-03

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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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MIT License

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Additional Project Details

Programming Language

Perl, Python

Registered

2010-02-16

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