qmcpack/old_docs/userguide.tex

144 lines
4.0 KiB
TeX

\documentclass[11pt]{article}
%\documentclass{article}
\usepackage{ifthen}
\usepackage{float}
\usepackage{footmisc}
\usepackage{makeidx}
\usepackage{color}
\usepackage{listings}
\usepackage[colorlinks,breaklinks=true]{hyperref}
\usepackage{amsmath}
\usepackage{fancyhdr}
\usepackage[small,compact]{titlesec}
\usepackage{dbk_callout}
%\usepackage[annot]{db2latex}
%\usepackage[small]{caption}
\oddsidemargin 0cm
\evensidemargin 0cm
\textwidth 6.5in
%\textheight 8.75in
%\textheight 8.95in
%\topmargin 0in
\parindent 0mm
\parskip 6pt
\renewcommand{\rmdefault}{phv} % Arial
\renewcommand{\sfdefault}{phv} % Arial
\setcounter{tocdepth}{5}
\setcounter{secnumdepth}{5}
\definecolor{dullmagenta}{rgb}{0.4,0,0.4} % #660066
\definecolor{darkblue}{rgb}{0,0,0.4}
\definecolor{listinggray}{gray}{0.97}
%\hypersetup{linkcolor=darkblue,citecolor=darkblue,filecolor=dullmagenta,urlcolor=darkblue} % coloured links
\hypersetup{linkcolor=blue,citecolor=blue,filecolor=dullmagenta,urlcolor=darkblue} % coloured links
%%% Add aliases
\newcommand{\bR}{\mathbf{R}}
%\newcommand{\cmake}{\href{http://www.cmake.org}{{\tt cmake} }}
%\newcommand{\boost}{\href{http://www.boost.org/}{{\tt boost} }}
\newcommand{\cmake}{\href{http://www.cmake.org}{cmake} }
\newcommand{\boost}{\href{http://www.boost.org/}{boost} }
\newcommand{\wiki}{\href{http://cms.mcc.uiuc.edu/qmcpack}{{\tt QMCPACK wiki} }}
%%% import macros from various latex sources, dblatex
%%% setting the variables for listings
\lstloadlanguages{XML,C,C++,html}
\lstset{
%basicstyle=\scriptsize,
basewidth=0.50em,
backgroundcolor=\color{listinggray},
keywordstyle=\bfseries\color{blue},
%stringstyle=\ttfamily\color[rgb]{0.627,0.126,0.941},
stringstyle=\ttfamily\color{red},
commentstyle=\itshape\color[rgb]{0.25,0.25,0.25},
%identifierstyle=\itshape\color{red},
%basicstyle=\small\tt,
basicstyle=\tt,
showspaces=false,
showtabs=false,
showstringspaces=false,
%frame=trbl,
%extendedchars=true,
numbers=none,
aboveskip=3pt,
belowskip=3pt,
xleftmargin=0cm,
xrightmargin=0cm,
%emph={simulation,parameter,group,particleset},emphstyle=\bfseries\color{darkblue},
}
%%%%% Add DBKadmonition from dblatex
\newlength{\admlength}
\newenvironment{DBKadmonition}[2] {
\begin{center}
\hspace{0mm}%\newline
\noindent
\setlength{\fboxsep}{5pt}
\setlength{\admlength}{\linewidth}
\addtolength{\admlength}{-4mm}
\sffamily
\begin{minipage}{\admlength}
\hrule
\vspace{2mm}
\ifthenelse{\equal{#1}{}}{
\def\admgraph{false}
}{
\def\admgraph{true}
% \includegraphics[width=10mm]{#1}\hspace{1mm}
\addtolength{\admlength}{-11mm}
\begin{minipage}{\admlength}
}
\textbf{#2}%
}{
\ifthenelse{\equal{\admgraph}{false}}{}{
\end{minipage}\newline
}
\vspace{3mm}
\hrule
\end{minipage}\newline
\end{center}
}
\makeindex
\title{QMCPACK User Guides}
\author{Jeongnim Kim\\
\it National Center for Supercomputing Applications,\\
\it University of Illinois at Urbana-Champaign}
\begin{document}
\maketitle
This document contains short tutorials on how to use QMCPACK available under
\href{http://www.opensource.org/licenses/UoI-NCSA.php}{University of
Illinois/\-NCSA Open Source License}. QMCPACK development at the Materials
Computation Center was supported by the National Science Foundation under grant
no. DMR-{}03 25939 ITR, with additional support through the Frederick Seitz
Materials Research Laboratory (U.S. Dept. of Energy grant no.
DEFG02-{}91ER45439) at the University of Illinois Urbana-{}Champaign and
National Center for Supercomputing Applications. Main contributing authors are
the members of the electron structure group of Profs. Ceperley and Martin. If
you are interested in participating in QMCPACK development, contact Jeongnim
Kim. More information is available at \url{http://www.mcc.uiuc.edu/qmc/}.
%pdf verrsion of this document is available \href{tutorial.pdf}{here}.
\tableofcontents
\newpage
\input intro
\input intro_io
\input intro_advanced
\section{Sample Inputs}
\input input_qmc
\input input_opt
\input conversion
%See list_samples.tex for an example of xml and code fragments
%\input list_samples
\end{document}