git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6241 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/Eqs/pair_hbond_dreiding.tex

@@ -1,16 +1,18 @@
 \documentstyle[12pt]{article}
 
 \begin{document}
-
-$$
-E^{hb}_{LJ}(r)=AR^{-12}-BR^{-10}cos^n\theta=4\epsilon\left\lbrace 5\left[ \frac{\sigma}{r}\right]^{12}-6\left[ \frac{\sigma}{r}\right]^{10}  \right\rbrace cos^n\theta
-$$
-
-$$
-E^{hb}_{MORSE}(r)=D_0\left\lbrace \chi^2 - 2\chi\right\rbrace cos^n\theta=D_{0}\left\lbrace e^{- 2 \alpha (r - r_0)} - 2 e^{- \alpha (r - r_0)} \right\rbrace cos^n\theta
-$$
-
-$$
-where \qquad r < r_c, \qquad cos^2\left( \theta\right) >  cos^2\left( \theta_c\right)
-$$
+\begin{eqnarray*}
+ E & = & \left[LJ(r) | Morse(r) \right] \qquad \qquad \qquad r < r_{\rm in} \\
+   & = & S(r) * \left[LJ(r) | Morse(r) \right] \qquad \qquad r_{\rm in} < r < r_{\rm out} \\
+   & = & 0 \qquad \qquad \qquad \qquad \qquad \qquad \qquad r > r_{\rm out} \\
+ LJ(r) & = & AR^{-12}-BR^{-10}cos^n\theta=
+         \epsilon\left\lbrace 5\left[ \frac{\sigma}{r}\right]^{12}-
+         6\left[ \frac{\sigma}{r}\right]^{10}  \right\rbrace cos^n\theta\\
+ Morse(r) & = & D_0\left\lbrace \chi^2 - 2\chi\right\rbrace cos^n\theta=
+         D_{0}\left\lbrace e^{- 2 \alpha (r - r_0)} - 2 e^{- \alpha (r - r_0)} 
+         \right\rbrace cos^n\theta \\
+ S(r) & = & \frac{ \left[r_{\rm out}^2 - r^2\right]^2  
+   \left[r_{\rm out}^2 + 2r^2 - 3{r_{\rm in}^2}\right]} 
+ { \left[r_{\rm out}^2 - {r_{\rm in}}^2\right]^3 }
+\end{eqnarray*}
 \end{document}