====== USER-MESO ======


''//<sub>USER</sub>//MESO'' is a GPU-accelerated package of **LAMMPS** \cite{plimpton1995lammps} for mesoscopic modelling using Dissipative Particle Dynamics and Smoothed Particle Hydrodyanmics. The code achieves tremendous speedup over the CPU code, and also exhibits good scalability.

As a LAMMPS package, its usage pattern follows that of the trunk code. It is shipped with a complete collection of atom styles, fix styles, pair styles, bonded interaction styles and a new integrator style. Existing LAMMPS users can follow the [[user-meso:quickstart|quick start guide]] to obtain and set up USER-MESO. A list of new pair styles, fixes, atom vectors can be found [[here]].

 


\subsection{Quick Start Guide}

\begin{enumerate}
  \item Download the source code from  or \texttt{http://www.cfm.brown.edu/repo/release/USER-MESO/}
\end{enumerate}


\subsection{Step-by-step setup}

\subsection{Atom Styles}

\subsubsection{\STYLE{dpd/atomic/meso}}

The \STYLE{dpd/atomic/meso} style is derived from the \STYLE{atomic} style and shares the same data file format. 

Usage:

\begin{lstlisting}  
atom_style dpd/atomic/meso

OR

suffix      meso
atom_style  dpd/atomic
\end{lstlisting}

Each atom carries the following attributes:\\

\begin{tabular}[center]{ccc}
name & type & remark \\
\midrule
x & double[3] & coordinate \\
v & double[3] & velocity \\
f & double[3] & force \\
tag & int &  \\
type & int &  \\
image & int &  \\
mask & int &  \\
\end{tabular}

\subsubsection{\STYLE{dpd/bond/meso}}

The \STYLE{dpd/bond/meso} style is derived from the \STYLE{bond} style and shares the same data file format. Each atom carries the following attributes:\\

\begin{tabular}[center]{ccc}
name & type & remark \\
\midrule
x & double[3] & coordinate \\
v & double[3] & velocity \\
f & double[3] & force \\
tag & int &  \\
type & int &  \\
image & int &  \\
mask & int &  \\
molecule & int & host molecule id \\
\end{tabular}

% as well as the per-atom topology information:\\
% \begin{tabular}[center]{ccc}
% name & type & remark \\
% \midrule
% nspecial & int[3] & number of special neighbors \\
% special & int[?] & special neighbors \\
% num\_bond & int & number of bonds \\
% bond\_type & int[?] & type of each bond \\
% bond\_atom & int[?] & tag of the bonding atom
% \end{tabular}

\subsubsection{\STYLE{dpd/angle/meso}}

The \STYLE{dpd/angle/meso} style is derived from the \STYLE{angle} style and shares the same data file format. Each atom carries the following attributes:\\

\begin{tabular}[center]{ccc}
name & type & remark \\
\midrule
x & double[3] & coordinate \\
v & double[3] & velocity \\
f & double[3] & force \\
tag & int &  \\
type & int &  \\
image & int &  \\
mask & int &  \\
molecule & int & host molecule id \\
\end{tabular}

\subsubsection{\STYLE{edpd/atomic/meso}}

The \STYLE{edpd/atomic/meso} style is an extension of the \STYLE{dpd/atomic/meso} style. One more column for the particle initial temperature is required for the ATOMS section of the input data file. Each atom carries the following attributes:\\

\begin{tabular}[center]{ccc}
name & type & remark \\
\midrule
x & double[3] & coordinate \\
v & double[3] & velocity \\
f & double[3] & force \\
T & double & temperature \\
Q & double & heat \\
tag & int &  \\
type & int &  \\
image & int &  \\
mask & int &  \\
\end{tabular}

\subsection{Bond Styles}

\subsubsection*{\STYLE{fene/meso}}

\subsubsection*{\STYLE{harmonic/meso}}

\subsection{Angle Styles}

\subsubsection*{\STYLE{harmonic/meso}}

\subsection{Fix Style}

\subsubsection*{\STYLE{nve/meso}}

\subsubsection*{\STYLE{opt/meso}}

\subsubsection*{\STYLE{plane/meso}}

\subsubsection*{\STYLE{pois/meso}}

\subsubsection*{\STYLE{vprof/meso}}

\subsubsection*{\STYLE{wall/meso}}