Unverified Commit 8774ec04 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

convert pair styles hbond to lebedeva

parent 61396174
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−31.3 KiB
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+0 −18
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\documentstyle[12pt]{article}

\begin{document}
\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}
−301 KiB
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\documentclass[aps,pr,onecolumn,superscriptaddress,noshowpacs,a4paper,15pt]{revtex4}
\pdfoutput=1
\bibliographystyle{apsrev4}
\usepackage{color}
\usepackage{dcolumn} %Align table columns on decimal point
\usepackage{amssymb}
\usepackage{amsmath}
\usepackage{amsthm}
\usepackage{graphicx}
\usepackage[pdftex]{hyperref}
\hypersetup{colorlinks=true,citecolor=blue,linkcolor=red,urlcolor=blue}
\usepackage[all]{hypcap}
\newcommand{\red}{\color{red}}
\newcommand{\blue}{\color{blue}}
\definecolor{green}{rgb}{0,0.5,0}
\newcommand{\green}{\color{green}}
\newcommand{\white}{\color{white}}
%\newcommand{\cite}[1]{\hspace{-1 ex} % \nocite{#1}\citenum{#1}}
\thickmuskip=0.5\thickmuskip %shorter spaces in math
%
\begin{document}
%
\begingroup
\Large
\begin{eqnarray*}
  E & = & \frac{1}{2} \sum_i \sum_{j \neq i} V_{ij} \\[15pt]
  V_{ij} & = & {\rm Tap}(r_{ij})\left \{ e^{-\alpha (r_{ij}/\beta -1)} 
               \left [ \epsilon + f(\rho_{ij}) + f(\rho_{ji})\right ] - 
                \frac{1}{1+e^{-d\left [ \left ( r_{ij}/\left (s_R \cdot r^{eff} \right ) \right )-1 \right ]}}
                \cdot \frac{C_6}{r^6_{ij}} \right \}\\[15pt]
  \rho_{ij}^2 & = & r_{ij}^2 - ({\bf r}_{ij} \cdot {\bf n}_i)^2 \\[15pt]
  \rho_{ji}^2 & = & r_{ij}^2 - ({\bf r}_{ij} \cdot {\bf n}_j)^2 \\[15pt]
  f(\rho) & = &  C e^{ -( \rho / \delta )^2 }\\[15pt]
  {\rm Tap}(r_{ij}) & = & 20\left ( \frac{r_{ij}}{R_{cut}} \right )^7 -
                          70\left ( \frac{r_{ij}}{R_{cut}} \right )^6 +
                          84\left ( \frac{r_{ij}}{R_{cut}} \right )^5 -
                          35\left ( \frac{r_{ij}}{R_{cut}} \right )^4 + 1
\end{eqnarray*}
\endgroup
%
\end{document}
%
−49.4 KiB
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