g-BAOAB source files
Date Available
2016-04-05Type
datasetData Creator
Matthews, CharlesPublisher
University of Edinburgh. School of MathematicsRelation (Is Referenced By)
https://doi.org/10.1098/rspa.2016.0138Metadata
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Citation
Matthews, Charles. (2016). g-BAOAB source files, 2014-2016 [dataset]. University of Edinburgh. School of Mathematics. https://doi.org/10.7488/ds/1365.Description
The files included here are the code files needed to implement the geodesic integration schemes relevant to the manuscript: "Efficient molecular dynamics using geodesic integration and solvent-solute splitting" (Proceedings of the Royal Society, 2016).
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