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Identification of clusters in computer experiments with periodic boundary conditions

✍ Scribed by H. Bunz

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
341 KB
Volume
42
Category
Article
ISSN
0010-4655

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✦ Synopsis

Nature ofphysical problem In many computer programs simulating many-body problems, Catalogue number: ACKZ patterns topologically connected have to be determined. This problem arises especially in Monte Carlo and molecular dy-Program obtainable from: CPC Program Library, Queen's Uth-namics calculations simulating nucleation or cluster formation, versity of Belfast, N. Ireland (see application form in this respectively. issue)

Method of solution

The molecules recognized as belonging to a specific cluster are Computer for which the program is designed and others on which re-ordered in such a way that all molecules in this cluster are it is operable: IBM, Siemens, Fujitsu and others with a FOR-ordered sequentially. The molecules have to be numbered. This TRAN 77 compiler sequential order of the molecules facilitates the subsequent calculation of any cluster properties.

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