AN OBJECT-ORIENTED APPROACH TOWARDS A CRYSTAL SYMMETRY ENVIRONMENT

Citation
Ahm. Thiers et al., AN OBJECT-ORIENTED APPROACH TOWARDS A CRYSTAL SYMMETRY ENVIRONMENT, Computer physics communications, 77(2), 1993, pp. 167-189
Citations number
22
Categorie Soggetti
Mathematical Method, Physical Science","Computer Applications & Cybernetics","Physycs, Mathematical
ISSN journal
00104655
Volume
77
Issue
2
Year of publication
1993
Pages
167 - 189
Database
ISI
SICI code
0010-4655(1993)77:2<167:AOATAC>2.0.ZU;2-W
Abstract
A descriptive summary of incommensurately modulated crystals and quasi crystals, like the International Tables for Crystallography for ordina ry crystals, is not feasible. Advanced software is needed to reveal th e characteristics of and the relations between the superspace groups, which describe these crystal types. This paper starts with an overview of the mathematical background and the algorithms involved. The use o f object oriented programming, the implementation/design technique use d in the crystal symmetry environment, is discussed and compared to a more traditional approach.