Identification of clusters in computer experiments with periodic boundary conditions

Published: 1 January 1986| Version 1 | DOI: 10.17632/7pxkpcrwxb.1
H. Bunz


Abstract Title of program: Cluster Identification Catalogue number: ACKZ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer for which the program is designed and others on which it is operable: IBM, Siemens, Fujitsu and others with a FORTRAN 77 compiler Computer: IBM 3090/Siemens 7890; Installation: Kernforschungszentrum Karlsruhe, Karlsruhe, Fed. Rep. Germany Operating system: MVS/SP 2.1.3 (XA) Programming language use... Title of program: CLUSTER IDENTIFICATION Catalogue Id: ACKZ_v1_0 Nature of problem In many computer programs simulating many-body problems, patterns topologically connected have to be determined. This problem arises especially in Monte-Carlo and molecular dynamics calculations simulating nucleation or cluster formation, respectively. Versions of this program held in the CPC repository in Mendeley Data ACKZ_v1_0; CLUSTER IDENTIFICATION; 10.1016/0010-4655(86)90011-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics