diff --git a/doc/src/pair_gayberne.rst b/doc/src/pair_gayberne.rst index 09bc3706c2..84d3d1a282 100644 --- a/doc/src/pair_gayberne.rst +++ b/doc/src/pair_gayberne.rst @@ -129,7 +129,7 @@ that type. e.g. in a "pair_coeff I J" command. .. note:: - If the :math:`\epsilon` a = b = c for an atom type, and if the shape + If the :math:`\epsilon_{a}` = :math:`\epsilon_{b}` = :math:`\epsilon_{c}` for an atom type, and if the shape of the particle itself is spherical, meaning its 3 shape parameters are all the same, then the particle is treated as an LJ sphere by the Gay-Berne potential. This is significant because if two LJ spheres @@ -137,7 +137,7 @@ that type. e.g. in a "pair_coeff I J" command. their interaction energy/force using the specified epsilon and sigma as the standard LJ parameters. This is much cheaper to compute than the full Gay-Berne formula. To treat the particle as a LJ sphere - with sigma = D, you should normally set :math:`\epsilon` a = b = c = + with sigma = D, you should normally set :math:`\epsilon_{a}` = :math:`\epsilon_{b}` = :math:`\epsilon_{c}` = 1.0, set the pair_coeff :math:`\sigma = D`, and also set the 3 shape parameters for the particle to D. The one exception is that if the 3 shape parameters are set to 0.0, which is a valid way in LAMMPS to