jussmith01 / cuda_remc_v2 Goto Github PK

This was a class project from the spring of 2014 semester for my computation chemistry course at UF. At this time I was just learning C/C++ and CUDA. The program builds an Ising spin glass model then uses Monte-Carlo (MC) sampling and Replica Exchange (RE) to search the sample space at many temperatures. See Comp_Chem_Proj.pdf in the repository for more detail. This is an early program I wrote when learning C/C++, my skills, in terms of using the object oriented nature of C++, optimization methods, and CUDA have greatly improved since this time.

License: MIT License