Lennard Jones interactions: Program calibration and testing

TeamOverkill / md

Molecular Dynamics

MIT License

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Lennard Jones interactions: Program calibration and testing #5

Closed SHervoe-Hansen closed 6 years ago

SHervoe-Hansen commented 6 years ago

We add this potential to test the program, for example to maintain constant energy in the NVE ensemble and fluctuations in the potential and kinetic energy as a function of time.