Commit f5b8f722 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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remove non-portable non-ascii blanks from fix wall/ees docs

parent 39e51df2
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+17 −16
Original line number Diff line number Diff line
@@ -50,17 +50,17 @@ fix ees_cube all wall/region/ees myCube 1.0 1.0 2.5 :pre
Fix {wall/ees} bounds the simulation domain on one or more of its
faces with a flat wall that interacts with the ellipsoidal atoms in the
group by generating a force on the atom in a direction perpendicular to
the wall and a torque parallel with the wall.  The energy of
the wall and a torque parallel with the wall.  The energy of
wall-particle interactions E is given by:

:c,image(Eqs/fix_wall_ees.jpg)

Introduced by Babadi and Ejtehadi in "(Babadi)"_#BabadiEjtehadi. Here,
{r} is the distance from the particle to the wall at position {coord},
and Rc is the {cutoff} distance at which the  particle and wall no
longer interact. Also,  sigma_n is the distance between center of
ellipsoid and the nearest point of its surface to the wall  The energy
of the wall (see the image below).
and Rc is the {cutoff} distance at which the particle and wall no
longer interact. Also, sigma_n is the distance between center of
ellipsoid and the nearest point of its surface to the wall. The energy
of the wall is:

:c,image(JPG/fix_wall_ees_image.jpg)

@@ -68,20 +68,21 @@ Details of using this command and specifications are the same as
fix/wall command. You can also find an example in USER/ees/ under
examples/ directory.

The prefactor {epsilon} can be thought of as an
effective Hamaker constant with energy units for the strength of the
ellipsoid-wall interaction.  More specifically, the {epsilon} pre-factor
= 8 * pi^2 * rho_wall * rho_ellipsoid * epsilon
* sigma_a * sigma_b * sigma_c, where epsilon is the LJ parameters for
the constituent LJ particles and sigma_a, sigma_b, and sigma_c are radii
of ellipsoidal particles. Rho_wall and rho_ellipsoid are the number
The prefactor {epsilon} can be thought of as an
effective Hamaker constant with energy units for the strength of the
ellipsoid-wall interaction.  More specifically, the {epsilon} pre-factor
= 8 * pi^2 * rho_wall * rho_ellipsoid * epsilon
* sigma_a * sigma_b * sigma_c, where epsilon is the LJ parameters for
the constituent LJ particles and sigma_a, sigma_b, and sigma_c are radii
of ellipsoidal particles. Rho_wall and rho_ellipsoid are the number
density of the constituent particles, in the wall and ellipsoid
respectively, in units of 1/volume.

NOTE: You must insure that r is always bigger than sigma_n for
all particles in the group, or LAMMPS will generate an error.  This
all particles in the group, or LAMMPS will generate an error.  This
means you cannot start your simulation with particles touching the wall
position {coord} (r = sigma_n) or with particles penetrating the wall (0 =< r < sigma_n) or with particles on the wrong side of the
position {coord} (r = sigma_n) or with particles penetrating the wall
(0 =< r < sigma_n) or with particles on the wrong side of the
wall (r < 0).