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22 changes: 22 additions & 0 deletions doc/manual/contacts.tex
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If you have questions that go beyond this manual, there are a number of
resources:
\begin{itemize}
\item For questions about the source code of \dftfe{}, portability, installation,
etc., use the \dftfe{} development mailing list at
\url{[email protected]}.

\item \dftfe{} is primarily based on the deal.II library (the dependency
on PETSc, SLEPc, and p4est are primarily through deal.II, and not directly
visible in the \dftfe{} source code). If you have particular questions
about deal.II, contact
the mailing lists described at \url{https://www.dealii.org/mail.html}.

\item If you have specific questions about \dftfe{} that are not suitable
for public and archived mailing lists, you can contact the
primary developers and mentors:
\begin{itemize}
\item Phani Motamarri: \url{[email protected]}.
\item Sambit Das: \url{[email protected]}.
\item Vikram Gavini: \url{[email protected]} (Mentor).
\end{itemize}
\end{itemize}
1 change: 1 addition & 0 deletions doc/manual/contributing.tex
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Discussion on how to contribute to \dftfe{} and the expected contributing standards go here.
1 change: 1 addition & 0 deletions doc/manual/formulation.tex
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Formulation...
1 change: 1 addition & 0 deletions doc/manual/futurePlans.tex
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Future plans go here...
1 change: 1 addition & 0 deletions doc/manual/installation.tex
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Installation instructions go here
49 changes: 49 additions & 0 deletions doc/manual/intro.tex
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DFT-FE is a C++ code for material modeling from first principles using Kohn-Sham density functional theory.
It is based on adaptive finite-element based methodologies and handles all-electron and pseudopotential calculations in the
same framework while accommodating arbitrary boundary conditions. dft-fe code builds on top of the deal.II library for everything
that has to do with finite elements, geometries, meshes, etc., and, through deal.II on p4est for parallel adaptive mesh handling.

\subsection{Authors}
\label{sec:authors}
\dftfe{} is hosted by the \href{http:https://www-personal.umich.edu/~vikramg/}{Computational Materials Physics
group at University of Michigan}, with Vikram Gavini, Associate Professor of Mechanical Engineering and Materials Science and Engineering, as
the principal investigator broadly overseeing this effort. The code is maintained by a group of principal developers,
who manage the architecture of the code and the core functionalities. Developers with
significant contributions to core functionalities and code architecture in the past who are
no longer active principal developers, are listed under principal developers emeriti.
A subset of the principal developers and mentors are administrators. Finally, all contributors who have
contributed major parts of the DFT-FE code or sent fixes and small enhancements are listed
under contributors. All the underlying lists are in alphabetical order.

\paragraph{Principal developers}
\begin{itemize}
\item Sambit Das (University of Michigan, USA).
\item Phani Motamarri (University of Michigan, USA).
\end{itemize}

\paragraph{Prinicipal developers emeriti}
\begin{itemize}
\item Krishnendu Ghosh (University of Michigan, USA).
\item Shiva Rudraraju (University of Wisconsin Madison, USA).
\end{itemize}

\paragraph{Contributors}
\begin{itemize}
\item Sambit Das (University of Michigan, USA).
\item Denis Davydov (University of Erlangen-Nuremberg, Germany).
\item Krishnendu Ghosh (University of Michigan, USA).
\item Phani Motamarri (University of Michigan, USA).
\item Shiva Rudraraju (University of Wisconsin Madison, USA).
\end{itemize}

\paragraph{Mentors}
\begin{itemize}
\item Vikram Gavini (University of Michigan, USA).
\end{itemize}

\subsection{Acknowledgments}
The development of \dftfe{} has been funded ...



\subsection{Referencing \dftfe{}}
111 changes: 20 additions & 91 deletions doc/manual/manual.tex
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\begin{document}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%% START OF CIG MANUAL COVER TEMPLATE %%%
%%% START OF DFT-FE MANUAL COVER TEMPLATE %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% This should be pasted at the start of manuals and appropriate strings entered at locations indicated with FILL.
% Be sure the TeX file includes the following packages.
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% keep the following line as is so that we can replace this using a script:
0.5.0-pre %VERSION-INFO%
\\\large(generated \today)\\
{\Large Sambit Das\\Vikram Gavini\\Phani Motamarri\\}
{\Large Sambit Das\\Vikram Gavini\\Phani Motamarri\\ Shiva Rudraraju\\}
}

%AUTHOR(S) & WEBSITE%
%WEBSITE%
\null
\vspace{17em}
\color{dark_grey}
{\fontfamily{\sfdefault}\selectfont
% FILL: author list
% e.g. Author One\\Author Two\\Author Three\\
% be sure to have a newline (\\) after the final author
\large
\noindent with contributions by: \\
Shiva Rudraraju\\
\vspace{1.0em}
}

{\noindent
{\fontfamily{\sfdefault}\selectfont \href{https://dftfe.org}{website of dftfe}}
}

\begin{textblock*}{0in}(5.25in,-0.8in)
\includegraphics[height=0.8in]{CoE-vert.png}
\end{textblock*}
%\begin{textblock*}{0in}(5.25in,-0.8in)
%\includegraphics[height=0.8in]{CoE-vert.png}
%\end{textblock*}

%LINE%
{\noindent
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\pagenumbering{arabic}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%% END OF CIG MANUAL COVER TEMPLATE %%%
%%% END OF DFT-FE MANUAL COVER TEMPLATE %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

\pagebreak
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\pagebreak

\section{Introduction}
DFT-FE is a C++ code for material modeling from first principles using Kohn-Sham density functional theory.
It is based on adaptive finite-element based methodologies and handles all-electron and pseudopotential calculations in the
same framework while accommodating arbitrary boundary conditions. dft-fe code builds on top of the deal.II library for everything
that has to do with finite elements, geometries, meshes, etc., and, through deal.II on p4est for parallel adaptive mesh handling.

\subsection{Authors}
\label{sec:authors}
\dftfe{} is hosted by the \href{http:https://www-personal.umich.edu/~vikramg/}{Computational Materials Physics
group at University of Michigan}, with Vikram Gavini, Associate Professor of Mechanical Engineering and Materials Science and Engineering as
the principal investigator. The code is maintained by a group of principal developers,
who manage the architecture of the code and the core functionalities. Developers with
significant contributions to core functionalities and code architecture in the past who are
no longer active principal developers, are listed under principal developers emeriti.
A subset of the principal developers and mentors are administrators. Finally, all contributors who have
contributed major parts of the DFT-FE code or sent fixes and small enhancements are listed
under contributors. All the underlying lists are in alphabetical order.

\paragraph{Principal developers}
\begin{itemize}
\item Sambit Das (University of Michigan, USA).
\item Phani Motamarri (University of Michigan, USA).
\end{itemize}

\paragraph{Prinicipal developers emeriti}
\begin{itemize}
\item Krishnendu Ghosh (University of Michigan, USA).
\item Shiva Rudraraju (University of Wisconsin Madison, USA).
\end{itemize}

\paragraph{Contributors}
\begin{itemize}
\item Sambit Das (University of Michigan, USA).
\item Denis Davydov (University of Erlangen-Nuremberg, Germany).
\item Krishnendu Ghosh (University of Michigan, USA).
\item Phani Motamarri (University of Michigan, USA).
\item Shiva Rudraraju (University of Wisconsin Madison, USA).
\end{itemize}

\paragraph{Mentors}
\begin{itemize}
\item Vikram Gavini (University of Michigan, USA).
\end{itemize}

\subsection{Acknowledgments}
The development of \dftfe{} has been funded ...



\subsection{Referencing \dftfe{}}
\label{sec:intro}
\input{intro}

\section{Overview of the formulation}
\label{sec:intro}
\input{formulation}

\section{Installation}
\label{sec:installation}
\input{installation}

\section{Running \dftfe}
\label{sec:run}
\input{rundftfe}

\section{Contributing to \dftfe{}'s development}

\label{sec:contributing}
\input{contributing}


\section{Future plans for \dftfe}
\label{sec:future}

\input{futurePlans}



\section{Finding answers to more questions}
\label{sec:questions-and-answers}
If you have questions that go beyond this manual, there are a number of
resources:
\begin{itemize}
\item For questions about the source code of \dftfe{}, portability, installation,
etc., use the \dftfe{} development mailing list at
\url{[email protected]}.

\item \dftfe{} is primarily based on the deal.II library (the dependency
on PETSc, SLEPc, and p4est are primarily through deal.II, and not directly
visible in the \dftfe{} source code). If you have particular questions
about deal.II, contact
the mailing lists described at \url{https://www.dealii.org/mail.html}.

\item If you have specific questions about \dftfe{} that are not suitable
for public and archived mailing lists, you can contact the
primary developers and mentors:
\begin{itemize}
\item Phani Motamarri: \url{[email protected]}.
\item Sambit Das: \url{[email protected]}.
\item Vikram Gavini: \url{[email protected]} (Mentor).
\end{itemize}
\end{itemize}
\input{contacts}


\appendix
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\label{sec:runtime-parameter-index-full}
}
\printindex[prmindexfull]
\end{itemize}
\end{itemize}%Added this line as a temporary latex compilation error fix due to incorrect parameters.tex

\end{document}
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Instructions on how to run \dftfe{} go here

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