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Python software for modelling Lennard Jones (12-6) potential

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Figshare2025-06-07 更新2026-04-28 收录
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Lennard Jones (12-6) potential is the most basic modelling paradigm for understanding the relative contribution of short-range repulsive forces and longer-range attraction forces on the interactions of two atoms. This preprint is a Python software that helps the user plot the potential energy level of two atoms at different radius in a 2D plot. At the educational level, it should also find use in understanding how different values of sigma and epsilon can influence the Lennard Jones (12-6) potential.

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2025-06-07
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