 |
COLLISIONAL PROCESSES AND APPLICATIONS (Department of Optics and Matter-Radiation Interaction) |
 |
The GROUP program 
A SOFTWARE FOR LISTING G ORIENTATION MATRIX COEFFICIENTS AND TENSORIAL ALGEBRA COEFFICIENTS
The GROUP package intends to provide access to the G orientation matrix elements for the symmetrization of O(3) (or SU(2)
CI) tensors into the Td (or TdS) subgroup. It also lists various coefficients necessary for tensor algebra in these groups. These cofficients are necessary for spectroscopic calculations for tetrahedral XY4 and octahedral XY6 molecules. They are used in the STDS and HTDS packages. It is designed for UNIX machines. It consists in FORTRAN (ANSI 77) routines.
Main GROUP characteristics :
REFERENCES
[1] J.-P. Champion, G. Pierre, F. Michelot and J. Moret-Bailly, Composantes cubiques normales des tenseurs sphériques. Canadian Journal of Physics, 55, 512-520 (1977).
[2] V. Boudon and F. Michelot, Spectroscopy of hexafluorides with an odd number of electrons. A tensorial formalismadapted to the chain SU(2)CI
OhS. Journal of Molecular Spectroscopy, 165, 554-579 (1994).
[3] M. Rey, V. Boudon, Ch. Wenger, G. Pierre and B. Sartakov, Orientation of O(3) and SU(2)CI representations in cubic point groups (Oh, Td) for application to molecular spectroscopy. Journal of Molecular Spectroscopy, 219, 313-325 (2003).
ACCESS TO GROUP FILES ON OUR FTP SITE
| Installation instructions |
| Get README |
| Get Unix-like version (for non Intel compatible processors) |
| Get Unix-like version (for Intel compatible processors) |
| Description of the GROUP program |
| Contacts |
| INSTALLATION INSTRUCTIONS |
|---|
GROUP is designed for Unix, PC Linux and Mac OS X :
|
UNIX
|
|
 |
|
 |
1 - Get one of the available packages:
 Get Unix-like version (for non Intel compatible processors) Get Unix-like version (for Intel compatible processors) |
2 - Start installation using:
| gunzip < GROUP.tar.gz | tar xvf - or gunzip < GROUP_PC.tar.gz | tar xvf - |
WARNING : All files are installed in the new ./GROUP directory.
3 - Continue installation following instructions in "group_README".
Instructions for Mac OS X users : You need to install the GNU Fortran compiler g77 that can beinstalled using Fink. C2vTDS works also well with the Absoft Pro Fortran compiler and the PGI compiler. Install C2vTDS as described above.
| Ch. WENGER Tel. : +33.3 80.39.59.96 Fax : +33.3 80.39.59.71 |
V. BOUDON Tel. : +33.3 80.39.59.17 Fax : +33.3 80.39.59.71 |
Back to the SMPCA page / Retour à la page SMPCA