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[Licence| Download | New Version Template] acps_v1_0.gz(65 Kbytes)
Manuscript Title: An extended version of "ASYROT".
Authors: C. Zauli
Program title: Frasyrot
Catalogue identifier: ACPS_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 79(1994)555
Programming language: Fortran.
Computer: PC80x86.
Operating system: MS-DOS V3.3 or higher.
RAM: 480K words
Word size: 32
Keywords: Asymmetric rotor, Molecular constants, Molecular physics, Spectra, Rotational analysis, Rotational Band structure, Rotational hamiltonian, Band contours.
Classification: 16.2.

Other versions:
Cat Id Title Reference
ACDS_v1_0 ASYROT CPC 38(1984)83
ABBA_v1_0 ASYROT PC CPC 47(1987)361

Nature of problem:
To compute rotational transitions between two singlet states of any molecule and to perform fitting of experimental lines.

Reasons for new version:
(i) To increase the ranges of rotational quantum numbers (J<=144, Ka<=100), in order to analyze or simulate spectra of large molecules, and (ii) to adapt the program to PC usage, reduce the need for printed output to a minimum, and optimize the performance on desktop DOS machines.

Running time:
58 s (33 MHz 486 processor; MS SMARTDRIVE installed), for the original test file. Compilation time 45 s.