Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Fast Ewald summation for electrostatic potentials with arbitrary
  periodicity   A unified treatment for fast and spectrally accurate evaluation of
electrostatic potentials subject to periodic boundary conditions in any or none
of the three spatial dimensions is presented. Ewald decomposition is used to
split the problem into a real-space and a Fourier-space part, and the FFT-based
Spectral Ewald (SE) method is used to accelerate the computation of the latter.
A key component in the unified treatment is an FFT-based solution technique for
the free-space Poisson problem in three, two or one dimensions, depending on
the number of non-periodic directions. The computational cost is furthermore
reduced by employing an adaptive FFT for the doubly and singly periodic cases,
allowing for different local upsampling factors. The SE method will always be
most efficient for the triply periodic case as the cost of computing FFTs will
then be the smallest, whereas the computational cost of the rest of the
algorithm is essentially independent of periodicity. We show that the cost of
removing periodic boundary conditions from one or two directions out of three
will only moderately increase the total runtime. Our comparisons also show that
the computational cost of the SE method in the free-space case is around four
times that of the triply periodic case.
  The Gaussian window function previously used in the SE method, is here
compared to a piecewise polynomial approximation of the Kaiser-Bessel window
function. With a carefully tuned shape parameter that is selected based on an
error estimate for this new window function, runtimes for the SE method can be
further reduced. Furthermore, we consider different methods for computing the
force, and compare the runtime of the SE method with that of the Fast Multipole
Method.

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The categories of this paper are: mtrl-th
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The categories of this paper are: bayes-an
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The categories of this paper are: solv-int
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The categories of this paper are: acc-phys
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The categories of this paper are: dg-ga
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The categories of this paper are: hep-ph
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The categories of this paper are: patt-sol
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The categories of this paper are: ao-sci
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The categories of this paper are: q-fin
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The categories of this paper are: econ
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The categories of this paper are: cmp-lg
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The categories of this paper are: nlin
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The categories of this paper are: math-ph
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The categories of this paper are: q-alg
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The categories of this paper are: chao-dyn
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The categories of this paper are: hep-lat