An algorithm that automates and simplifies the execution of a hybrid MC/MD approach.
molecular-dynamics-simulationmonte-carlo-simulationinterstitialsuser-friendlyautomatedshort-range-order
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Updated
May 18, 2026 - Python
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interstitials
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Application for creating supercells and random point defects in crystal structures
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Updated
Jun 28, 2026 - Python
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