ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fixing typo in pair_gayberne.rst

Browse Source 
Fixing typo in the documentation
This commit is contained in:
Evangelos Voyiatzis
2022-09-21 20:01:38 +02:00
committed by GitHub
parent e745c8aac4
commit 51b323fc76
1 changed files with 2 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
doc/src/pair_gayberne.rst
View File

@ -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