fix_orient_fcc.tex
bfb019efa901lammm-master

fix_orient_fcc.tex
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			\newcommand{\br}{\mathbf{r}}

			\documentclass[12pt]{article}

			\begin{document}

			\begin{equation}
			\xi_{i} = \sum_{j=1}^{12} \left\| \br_{j} - \br_{j}^{\rm I} \right\|
			\end{equation}

			\begin{equation}
			\xi_{\rm IJ} = \sum_{j=1}^{12} \left\| \br_{j}^{\rm J} - \br_{j}^{\rm I} \right\|
			\end{equation}

			\begin{eqnarray}
			\xi_{\rm low} &=& {\rm cutlo} \, \xi_{\rm IJ} \\
			\xi_{\rm high} &=& {\rm cuthi} \, \xi_{\rm IJ}
			\end{eqnarray}

			\begin{eqnarray}
			\omega_{i} &=& \frac{\pi}{2}
			\frac{\xi_{i} - \xi_{\rm low}}{\xi_{\rm high} - \xi_{\rm low}} \\
			\mbox{\hspace*{72pt}} \nonumber \\
			u_{i} &=& 0 \mbox{\hspace{84pt} for } \xi_{i} < \xi_{\rm low} \nonumber \\
			&=& {\rm dE}\,\frac{1 - \cos(2 \omega_{i})}{2}
			\mbox{\hspace{10pt} for } \xi_{\rm low} < \xi_{i} < \xi_{\rm high} \\
			&=& {\rm dE} \mbox{\hspace{80pt} for } \xi_{\rm high} < \xi_{i}
			\nonumber
			\end{eqnarray}
			\end{document}