--- trunk/tengDissertation/Appendix.tex 2006/06/29 23:00:35 2909 +++ trunk/tengDissertation/Appendix.tex 2006/06/30 03:19:40 2913 @@ -3,7 +3,7 @@ community\cite{Wilson2006}. In the last 20 years, a la The absence of modern software development practices has been a bottleneck limiting progress in the Scientific Computing -community\cite{Wilson2006}. In the last 20 years, a large number of +community. In the last 20 years, a large number of few MD packages\cite{Brooks1983, Vincent1995, Kale1999} were developed to solve common MD problems and perform robust simulations . Most of these are commercial programs that are either poorly @@ -17,7 +17,7 @@ Gay-Berne ellipsoids, or other "lumpy"atoms with orien \begin{enumerate} \item {\sc OOPSE} performs Molecular Dynamics (MD) simulations on non-standard atom types (transition metals, point dipoles, sticky potentials, -Gay-Berne ellipsoids, or other "lumpy"atoms with orientational +Gay-Berne ellipsoids, or other "lumpy" atoms with orientational degrees of freedom), as well as rigid bodies. \item {\sc OOPSE} uses a force-based decomposition algorithm using MPI on cheap Beowulf clusters to obtain very efficient parallelism.