Molecular Dynamics Simulation Upgrade-Software User's Manual.
Final rept. Jan-Jun 97,
SYNECTICS CORP ROME NY
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The purpose of the MDEM simulation upgrade was to improve performance, enhance the user-friendly features and generally clean up the source code for the MDEM simulation software tool. Performance improvement was primarily focused on the attainment of MDEM processing speedup. This was achieved at a low level by examining the existing code structure, as well as at a high level by modifying the simulation algorithm. Enhancement of user-friendly features included the implementation of a prototype graphical user interface GUI and the creation of the user S guide for both the command-line and GH versions of MDEM. Code cleanup involved deletion of unnecessary code and comments, and reorganization of variables. In addition to this, miscellaneous software engineering and development support was provided to Rome Laboratory on an as required basis.
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