Commit e1f1e7cd authored by sjplimp's avatar sjplimp
Browse files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1563 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent fb7bcd38
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+1.61 KiB (56.5 KiB)

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\begin{center}

\large{Additional documention for the Gay-Berne ellipsoidal potential \\
\large{Additional documentation for the Gay-Berne ellipsoidal potential \\
  as implemented in LAMMPS}

\end{center}
@@ -21,12 +21,12 @@ $$ U ( \mathbf{A}_1, \mathbf{A}_2, \mathbf{r}_{12} ) = U_r (
\mathbf{A}_1, \mathbf{A}_2, \upsilon ) \cdot \chi_{12} ( \mathbf{A}_1,
\mathbf{A}_2, \mathbf{r}_{12}, \mu ) $$

where $\mathbf{A}_1$ and $\mathbf{A}_2$ are the transformation matrices 
from the simulation box frame to the body frame and $\mathbf{r}_{12}$ 
is the center to center vectorb etween the particles.  
$U_r$ controls the shifted distance dependent
interaction based on the distance of closest approach of the two
particles ($h_{12}$) and the user-specified shift parameter gamma:
where $\mathbf{A}_1$ and $\mathbf{A}_2$ are the transformation
matrices from the simulation box frame to the body frame and
$\mathbf{r}_{12}$ is the center to center vector between the
particles.  $U_r$ controls the shifted distance dependent interaction
based on the distance of closest approach of the two particles
($h_{12}$) and the user-specified shift parameter gamma:

$$ U_r = 4 \epsilon ( \varrho^{12} - \varrho^6) $$

+6 B (56.3 KiB)

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\begin{center}

\large{Additional documention for the RE-squared ellipsoidal potential \\
\large{Additional documentation for the RE-squared ellipsoidal potential \\
  as implemented in LAMMPS}

\end{center}