Jun 29, 2010
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Source code
PAPER and cpuPAPER source code, version 2.0
Version 2.0 includes significant optimizations (10x faster than version 1.1), support for multi-GPU systems, and CUDA 3.x compatibility patches. View License
Haque IS and Pande VS. PAPER -- Accelerating Parallel Evaluations of ROCS. Journal of Computational Chemistry. Published online 6 May 2009. DOI:10.1002/jcc.21307 (2009) View
Version 1.1 includes both GPU and CPU (partial) implementations of Gaussian overlap optimization.Notes View License