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Time trials of the wave projects initial iteration using different OpenMP clauses and MPI functions. This tests techniques to get a better understanding of how OpenMP and MPI works on an example with multiple transfers of data information.
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This project aims to predict how transduction of resistance genes affects resistance evolvability using computational evolutionary modeling.
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code examples for CPU serial, CPU parallel, GPU parallel, and FPGA accelerated markov gate network update function
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A PSI4 plugin which performs active-space coupled-cluster (CC) calculations with up to triple excitations, known as CCSDt, and energy corrections based on the method-of-moments of CC, denominated as the CC(t;3) method.
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