Config: A GRACE tool for constructing configuration trees

Citation
D. Maley et al., Config: A GRACE tool for constructing configuration trees, COMP PHYS C, 114(1-3), 1998, pp. 271-294
Citations number
7
Categorie Soggetti
Physics
Journal title
COMPUTER PHYSICS COMMUNICATIONS
ISSN journal
00104655 → ACNP
Volume
114
Issue
1-3
Year of publication
1998
Pages
271 - 294
Database
ISI
SICI code
0010-4655(199811)114:1-3<271:CAGTFC>2.0.ZU;2-1
Abstract
This paper details Config, a graphical tool to assist in determining which configurations contribute to a particular CI expansion. It shows the result ant symmetries and electron distributions, and provides a means of viewing which symmetries result from which electron configurations, and vice versa. This data can be exported to a file in a form acceptable to other programs in the GRACE suite. In the past the consistency of such data presented to GRACE has relied on the ability of the user accurately to follow through th e simple but lengthy coupling calculations. Config now provides this servic e, and makes it available through a simple graphical interface. Config is w ritten for UNIX workstations using C++, and utilises the MOTIF toolkit to p rovide graphics primitives for the interface. A precise specification of th e functionality of the configuration generation software has been written i n VDM-SL. (C) 1998 Elsevier Science B.V.