- Category:
- Algorithm
- Tags:
-
[MacOS]
- File Size:
- 5kb
- Update:
- 2012-11-26
- Downloads:
- 0 Times
- Uploaded by:
- hyx
Description: This program embodies most features deemed necessary for this type of calculation:
Watson s reduced asymmetric top Hamiltonian up to decadic terms, with Wang factorization
Reductions A and S, representations Ir and IIIr (note the idiosyncrasy that the latter is not IIIl so that signs of the off-diagonal quartic, sextic.... constants will be reversed)
J up to 250, N.lines up to 10000, the latter can easily be increased by changing NLINES in PARAMETER statements
Lines can have differing measurement errors for unequal weighting and fitting of blended lines is supported
Lines can carry annotations, both at the end of each transition, as well as between transition declarations, in the form of full comments, or just spacing lines
Automatic generation of entries for the various Q-type bands and the high-J, R-type bands (see J.Mol.Spectrosc. 177,240(1996) and 178,125(1996))
Publication type formatting of resulting constants and cleaned up output of the frequency table for elect
To Search:
- [asq1p] - This program calculates the nuclear quad
- [pmifst] - Graphical molecule display program tailo
File list (Check if you may need any files):
nsym.for
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