A performance analysis of Appel's algorithm for performing pairwise calculations in a many particle system

Authors
Hingst, MS Phillips, AT
Citation
Ms. Hingst et At. Phillips, A performance analysis of Appel's algorithm for performing pairwise calculations in a many particle system, COMPUT OP A, 14(2), 1999, pp. 231-240
Citations number
5
Categorie Soggetti
Engineering Mathematics
Journal title
COMPUTATIONAL OPTIMIZATION AND APPLICATIONS
ISSN journal
09266003 → ACNP
Volume
14
Issue
2
Year of publication
1999
Pages
231 - 240
Database
ISI
SICI code
0926-6003(199909)14:2<231:APAOAA>2.0.ZU;2-B
Abstract
Appel's algorithm for efficiently performing pairwise potential energy calc ulations is analyzed with regard to both computing time required and error incurred. Four factors are identified which determine the practical value o f Appel's method: the total number of particles in the system, the toleranc e for error in the calculations, the complexity of the pairwise energy calc ulation, and the spacial distribution of the particles.