Title of article
Fractional tiers in fast multipole method calculations
Author/Authors
White، نويسنده , , Christopher A. and Head-Gordon، نويسنده , , Martin، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1996
Pages
4
From page
647
To page
650
Abstract
One defining characteristic of the fast multipole calculation is the number of tiers (depth of tree) used to group the particles. For three dimensions, the standard boxing scheme restricts the number of lowest level boxes to be a power of eight. We present a method which through a simple scaling of the particle coordinates allows an arbitrary number of lowest level boxes. Consequently, one can better balance the near-field and far-field work by minimizing the variation in the number of particles per lowest level box from its optimal value. Test calculations show systems where this method gives a speedup approaching two times.
Journal title
Chemical Physics Letters
Serial Year
1996
Journal title
Chemical Physics Letters
Record number
1777598
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