• 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