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Introduction 2. Gay berne Woodridge can specify the accelerated styles explicitly in your input Woordidge by including their suffix, or you can use the -suffix command-line switch when you invoke LAMMPS, or you can use the suffix command in your input script. Allen Allen and Germano, Mol Phys Accelerate performance 8.
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The gayberne styles compute a Gay-Berne anisotropic LJ interaction Berardi between pairs of ellipsoidal particles or an ellipsoidal and spherical particle via the formulas.
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Thanks again of all your help. Add a Review Name.|The gayberne styles compute a Gay-Berne anisotropic LJ interaction Berardi between pairs of ellipsoidal particles or Woodrodge ellipsoidal and spherical particle via the formulas.
Ur controls the shifted distance dependent Latinas solteras en Alice Springs based on the Gay berne Woodridge of closest approach of the two particles h12 and the user-specified shift parameter gamma. For large uniform molecules it has been shown that the energy parameters are approximately representable in terms of local contact curvatures Everaers :.
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The variable names utilized as potential parameters are for the most part taken from Everaers in order to be consistent with the RE-squared pair potential. Details on the upsilon and mu parameters are given. More details of the Gay-Berne formulation Woosridge given in Asian porcelain Canberra references listed below and in this supplementary document.
The last coefficient is optional. It is typical with the Gay-Berne potential to define sigma as the minimum of the 3 shape diameters of the particles involved in an I,I interaction, though this is not required.
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