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\title{The OOPSE Manifesto: \\ |
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An Opera in four acts.} |
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\title{{\sc oopse}: An Open Source Object-Oriented Parallel Simulation |
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Engine for Molecular Dynamics} |
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\author{Matthew A. Meineke} |
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\author{Charles F. Vardeman II} |
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\author{Teng Lin} |
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\author{Christopher Fenell} |
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\author{J. Daniel Gezelter} |
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\email[To whom correspondence should be addressed:~]{gezelter@nd.edu} |
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\affiliation{Department of Chemistry and Biochemistry\\ |
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University of Notre Dame\\ |
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Notre Dame, Indiana 46556} |
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\author{Matthew A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher J. Fennell and J. Daniel Gezelter\\ |
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Department of Chemistry and Biochemistry\\ |
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University of Notre Dame\\ |
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Notre Dame, Indiana 46556} |
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\date{\today} |
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\maketitle |
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\begin{abstract} |
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It's OOPSE, and it rules the earth. |
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The greatest program since coding's birth! |
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We detail the capabilities of a new open-source parallel simulation |
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package ({\sc oopse}) that can perform molecular dynamics simulations |
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on atom types that are missing from other popular packages. In |
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particular, {\sc oopse} is capable of performing orientational |
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dynamics on dipolar systems, and it can handle simulations of metallic |
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systems using the embedded atom method ({\sc eam}). |
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\end{abstract} |
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\maketitle |
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\newpage |
