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GiGi-MR provides redundant computing in which each computation is performed on multiple clients through the replication of input files.
PSF computation is performed with the "Compute flow" button.
Computation is performed using NorduGrid grid computing platform.
An all-device (i.e. GPU) computational approach is adopted where the entire computation is performed on the GPU device, leaving the CPU idle during all stages of the computation, including particle moving, indexing, particle collisions and state sampling.
This computation is performed such that, with a reasonable computational complexity, a complexity parameter k close to the actual clique-width which is the lowest possible k—is aclique-width which
Rollett computes the real and imaginary parts separately, whereas our computation is performed with complex numbers, the rationale being that the composition of the different terms of the structure factor can be performed with mere complex multiplications.
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For robustness, this computation was performed using the Cholesky decomposition.
Computation was performed using R Version 2.8.1.
To normalize array (columns), a similar computation was performed.
Computation was performed using Matlab R2010b and the statistics toolbox.
Statistical computation was performed with Prism GraphPad software.
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