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. Author manuscript; available in PMC: 2015 Dec 5.
Published in final edited form as: J Comput Chem. 2014 Sep 27;35(31):2245–2255. doi: 10.1002/jcc.23743

Figure 2.

Figure 2

GneimoSim Software Functional Decomposition. The GneimoSim software functional components are organized within input (green), simulation (red), and output (blue) categories. The data flow (dashed black arrows) between these components is primarily handled by the manager Gneimo class. Some of these functional components are based on abstract classes (double boundary lines) that are specialized into alternative functional implementations. Class inheritance is indicated by the solid gray arrows. GneimoSim uses the ICMD dynamics model and the SOA-based computational algorithms from the DARTS computational engine.