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A flexible algorithm for calculating pair interactions on SIMD architectures

By Szilárd Páll and Berk Hess
Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implementations using a double loop over particle pairs have traditionally worked well, especially since compilers usually do a good job of unrolling the inner loop. In order to reach... Show more
June 7, 2013
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A flexible algorithm for calculating pair interactions on SIMD architectures
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