/gbpot

Python implementation of the anisotropic Gay-Berne potential

Primary LanguagePython

Python implementation of the anisotropic Gay-Berne potential

isopot

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