user_manual.tex 2.68 KB
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\documentclass{article}

\usepackage[utf8]{inputenc}
\usepackage[square,numbers,sort&compress]{natbib}
%\usepackage[english]{babel}
\usepackage{bm}
\usepackage{epciso}

\usepackage{amsthm}
\usepackage{amssymb}
\usepackage{amsmath}
\usepackage{verbatim}
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%\usepackage{fullpage}
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\usepackage{graphicx}
%\usepackage{geometry}
\usepackage{algorithm}
\usepackage{algorithmicx}
\usepackage{algpseudocode}
\usepackage{placeins}

%\usepackage{tikz}
\usepackage{wasysym}
\usepackage{caption}
\usepackage{url}
\usepackage{colortbl}
\usepackage{fancyvrb}
%\usepackage{kbordermatrix}
\usepackage{multirow} % plusieurs lignes ds tabular
\usepackage{longtable} % tables sur plusieurs pages
\usepackage{braket}
\usepackage{amstext} % for \text macro
\usepackage{array}   % for \newcolumntype macro
\newcolumntype{C}{>{$}c<{$}} % math-mode version of "l" column type
\newcolumntype{H}{>{\setbox0=\hbox\bgroup$}c<{$\egroup}@{}}

%\usepackage{fdsymbol}
\usepackage{rotating}

 
%\geometry{
%  top=15mm,
%  bottom=15mm}

\DefineVerbatimEnvironment{shell}{Verbatim}{
  commandchars=\#\{\},
  %label=\shelltitle,
  frame=single,
  samepage=true,
  fontsize=\footnotesize
  %formatcom=\setcounter{prompt}{0}\start
}

\DefineVerbatimEnvironment{algov}{Verbatim}{
  commandchars=\#\{\},
  numbers=left,
  xleftmargin=10mm,
  %label=\shelltitle,
  frame=none,
  samepage=true,
  fontsize=\footnotesize
  %formatcom=\setcounter{prompt}{0}\start
}

\newcommand{\CMone}{\text{CM1}}
\newcommand{\CMtwo}{\text{CM2}}
\newcommand{\Id}{\text{Id}}
\newcommand{\sbc}{$\smallblackcircle$}
\newcommand{\swc}{$\smallcircle$}
\newcommand{\sbs}{$\smallblacksquare$}
\newcommand{\sws}{$\smallsquare$}
\newcommand{\Ntot}{N_\text{tot}}
\newcommand{\UP}{$\uparrow$~}
\newcommand{\DN}{$\downarrow$~}
\newcommand{\sass}{RelaxSE}
\newcommand{\prop}{PROP}

%\newcommand\devonly[1]{\textcolor{blue}{#1}}
\newcommand\devonly[1]{}
\definecolor{rltbrightblue}{rgb}{0,0,1}

\title{{\Huge RelaxSE}  \\ User's Manual}
\author{Elisa Rebolini$^{1}$ and Marie-Bernadette Lepetit$^{1,2}$ \\
 \footnotesize $^1$ Institut Laue Langevin, Grenoble, France \\
 \footnotesize $^2$ Institut N\'eel, CNRS, Grenoble, France}
\date{\today}


\begin{document}

\maketitle

\section{Code description}
\input{code} 

\section{Code citation}
Please cite the \program{\sass} code as \\
Elisa Rebolini and Marie-Bernadette Lepetit,  The Journal of Chemical Physics
{\bf 154}, 164116 (2021).

\section{Input description}
\input{input} 

\section{PROP input description}
\input{inputprop} 


\section{Code performances}
\input{perf}


\pagebreak
\newpage

\bibliographystyle{apsrev}
\bibliography{relaxe}

\end{document}

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