USER-MESO

USERMESO 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 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}}


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