Objects Mixture | <Prev Next> |
A Variables object is used to add named dummy
parameters that are used to constrain fits.
This is particularly designed for force field
analysis (see z matrix for an example)
but can be useful in other contexts. For example, to fit to a band
origin and a separation, rather then two band origins, add a
parameter named "Offset" as above, and then add a constraint along the lines
of:
Constrain NH3.ND2H.B.A2.Origin := Variables.Offset + NH3.ND2H.B.B1.Origin
With this set up the new parameter, effectively the difference between the two origins, and one of the origins (NH3.ND2H.B.B1.Origin) are floated, rather than both origins.
Global | If true, then variables given in this object are available
in all expressions. (If false, then the values will require
specifying the full name, as Variables.Offset
above.) |