Units |
Units for calculation of frequencies/energy - valid
values are cm1 (cm-1), MHz, Kelvin and eV. The key change
this makes is in
calculating Boltzmann factors from temperature; the units are otherwise
not significant.
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IntensityUnits |
Units for intensity. Possible values are Arbitrary (fastest),
Normalized (include partition
function), Squared (square the calculated intensity), nm2MHzperMolecule (for
absorption), cm2WavenumberperMolecule (for absorption) or HzperMolecule
(for emission). For the last three,
transition moments are assumed to be in Debye. |
PrintLevel |
Controls the
amount of printout in the Log window.
Negative for no output, 0 for a
line list, larger numbers for printouts of the Hamiltonian and
transition
matrices. |
nDF |
Number of points (between
Fmin and Fmax) to calculate the spectrum at. Note that if a peak width
is less than 3*(Fmax-Fmin)./nDF, i.e. only a few points wide, then it
is shown as a stick, rather than a peak. |
WidthMult |
Multiple of linewidth to extend convolution over. |
Precision |
Precision of printout (decimal places after the point). |
LifeModel |
Model to use for
state dependent lifetimes and linewidths. Valid values are lmNone,
lmWidth, lmProduct, lmProductWidth, lmParent, lmParentWidth, lmGate,
lmGateWidth. |
BasisOrder |
How to order the basis states making up a basis. Valid values
are: boDefault, boDiagonal and boStateDiagonal. |
ShowSum |
Plot overall sum of individual spectra. This is toggled by
the button. |
ShowParts |
Plot individual
spectra making up overall spectrum. The individual spectra are grouped
by colour, so you will need to set colours to see something different
to the sum. Colours can be set at the transition moment, state,
molecule or species level. This is toggled by the button. |
ShowFortrat |
Plot a Fortrat diagram, i.e. J against frequency, in the main
window. This is toggled by the
button. |
UseUpper |
Set to use upper rather than lower state J and symmetry in
the Fortrat diagram. |
JAdjustSym |
If set, energy
level plots and Fortrat diagrams will take account of the alternation
in symmetry with J that is
often found. For example in linear molecules
an energy level will typically alternate between + and - parity with J
(hence the e/f notation). |
ShowSymmetry |
Show symmetry in fortrat plots. |
ShowDeltaJ |
Show change in J in fortrat plots. |
ScaleMarkSize |
Scale Mark Size with intensity in fortrat plots. |
DoubleQnos |
If set (default) all quantum numbers are displayed as twice
their
actual values. |
FitCycles |
Number of least squares fit cycles to do on each press of a
"fit" button. |
AutoReplot |
If false, automatic recalculation of the simulation is
disabled in some circumstances. Use if the program is running slowly. |
PlotUnits |
Units for the
horizontal scale for spectrum plots. Possibilities are as for Units
above (the calculation units) and also nmVac, nmAir, corresponding to
nm in vacuum and air respectively.
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