Jochen Küpper jochen at
Fri Apr 26 19:12:32 BST 2002

Could someone please explain to me how to use the INACTIVE keyword to
freeze variables?

I am trying to perform a optimization in z-matrix coordinates using a 
| do
|    ...
|    opt
| enddo
statement.  Some of the "constants" in the z-matrix have to be
recalculated every iteration through the loop, so I cannot numerical
values in the geoetry specification.  Moreover making them variables
they would be linearly dependent upon other variables.

Ok, so I thought I make them variables, recalculate them whenever
necessary, but tell opt not to treat them as constants.  The manual
tells me to use inactive -- it doesn't say how to use it, though.  So
I have put statements like
anywhere in the input I could think of, but either it is an illegal
command, my geometry specification is invalid, or it is simply ignored
(depending on the spot I put it).

It would be great if someone could shed some light on that...

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