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Universität zu Köln
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Mathematisch-Naturwissenschaftliche Fakultät
Fachgruppe Physik

I. Physikalisches Institut

On the Coding of the Parameters

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Well, the coding of the parameters in Herb Pickett's programs is an interesting issue. Herb has come up with a rather logical solution. However, the logic might seem a tad tricky for someone beginning to use Herb's programs. Herb has some general remarks on the coding of the parameters and some simple examples in his documentation. Further information is availabale in the name files for some specific spectroscopy problems.
spins.nam and spina.nam describe the codes for an asymmetric top in Watson's S and A reduction, respectively. More codes are in the files sping.nam and spinr.nam for molecules without and with one unpaired electron, respectively.

More tips and tricks are available through the numerous examples.