Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adpd_v1_0.tar.gz(3427 Kbytes)|
|Manuscript Title: UTILITIES for the RATIP package.|
|Authors: S. Fritzsche|
|Program title: UTILITIES|
|Catalogue identifier: ADPD_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 141(2001)163|
|Programming language: Fortran.|
|Computer: IBM RS 6000, PC Pentium II.|
|Operating system: IBM AIX, Linux.|
|RAM: 300K words|
|Word size: 64|
|Keywords: Atomic data and properties, Auger rate, Branching ratio, Configuration symmetry list, Einstein coefficient, File handling, Lifetime, Open-shell atom, RATIP utilities, Relativistic, Atomic physics, Structure.|
Nature of problem:
In the framework of the RATIP package, a toolbox supports a variety of (smaller) tasks. It facilitates, for example, the file and data handling in large-scale applications or the interpretation of complex spectra.
The main menu of the UTILITIES lists 16 tasks which can be selected interactively. Information, which is printed during the execution of the program, as well as an interactive dialog about the required input and (selected) output guides the user through the individual tasks.
A total of 16 different tasks are supported in the present version. Each of these tasks displays a short summary about its function and prompts for the required input and output data interactively. Number of bits in a word: All real variables are parametrized by a selected kind parameter and, thus, can be adapted to any required precision if supported by the compiler. Currently, the kind parameter is set to double precision (two 32-bit words) as used also for other components of the RATIP package [1-3].
The program responds promptly for most of the tasks below. The responding time for other tasks, such as the generation of a relativistic pair-correlation basis, strongly depend on the size of the corresponding data files.
|||S. Fritzsche, C.F. Fischer, and C.Z. Dong, Comput. Phys. Commun. 124 (2000) 341.|
|||G. Gaigalas and S. Fritzsche, Comput. Phys. Commun. 134 (2001) 86.|
|||S. Fritzsche, J. Elec. Spec. Rel. Phen. 114-116 (2001) 1155.|
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