532313 Implementation of Harmonically Mapped Averaging Methods in Popular Molecular Simulation Codebases

Apoorva Purohit1, Sabry G. Moustafa2, Arpit Bansal3, Andrew J. Schultz2 and David A. Kofke2, (1)University at Buffalo, SUNY, Buffalo, NY, (2)Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, NY, (3)University at Buffalo, NY, Buffalo, NY
See more of this Session: Software Engineering in and for the Molecular Sciences
See more of this Group/Topical: Computational Molecular Science and Engineering Forum