GitHub - oiao/gbpot: Python implementation of the anisotropic Gay-Berne potential

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Python implementation of the anisotropic Gay-Berne potential

References:

Gay, J. G.; Berne, B. J. J. Chem. Phys. 1981, 74, 3316–3319
Bates, M. A.; Luckhurst, G. R. J. Chem. Phys. 1996, 104, 6696–6709

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Python implementation of the anisotropic Gay-Berne potential

molecular-dynamics anisotropy lennard-jones potentials liquid-crystals gay-berne

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