منابع مشابه
Optimisation of the Ewald Sum
Introduction It is part of the folk law of simulation that the execution time for the Ewald sum scales with N , the number of ions, as N . This result has appeared in print in various forms, e.g [1]. However, in view of a recent paper [2] which claims it is order N , I thought it worthwhile to go over the argument here, and bring out some points of practical importance. We will consider a cubic...
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Distributed P trticle-Mesh Ewald: A Parallel Ewald Summation Method
The Distributed Particle-Mesh Ewald method (DPME) is a parallel Ewald summation method that is based on the O(NlogN) PME method for evaluating the electrostatic interactions of a periodic particle system, where N is the number of particles in the unit cell. We present three implementations of the DPME method which are evaluated on a network of workstations and the Cray T3D. The performance of t...
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the rationale behind the present study is that particular learning strategies produce more effective results when applied together. the present study tried to investigate the efficiency of the semantic-context strategy alone with a technique called, keyword method. to clarify the point, the current study seeked to find answer to the following question: are the keyword and semantic-context metho...
15 صفحه اولAn Ewald summation based multipole method
~assuming the simulation box is cubic!, where qi and ri are the charge and position of particle i, L is the size of the simulation box, n5(n1 ,n2 ,n3), and the prime indicates that the i5 j terms are omitted when n50. The Ewald summation method has been widely used to handle the lattice sum in Eq. ~1!. In the method, the above-mentioned conditionally convergent series is written as a sum of a c...
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ژورنال
عنوان ژورنال: Philosophical Magazine Letters
سال: 2012
ISSN: 0950-0839,1362-3036
DOI: 10.1080/09500839.2011.622725