Is 'gamma' reserved internal variable?
matt at stchem.bham.ac.uk
Thu Jul 3 13:07:22 BST 2003
>>>>> Jacek Klos writes:
> I couldn't find description in the Molpro manual that 'gamma' is
> internal variable and cannot be used in the molpro input.
> Apparently the parser has problem with it and assigns some value to
> 'gammat' variable, but I have no clue what is that number. In my
> input for my work, the results were printed and looked reasonably,
> so if someone would use that variable would get wrong results and
> could not notice that. I wanted to check my results and that's why
> I found this problem.
> Dis someone already discover this or does know explanation about
> this 'gamma' variable?
The problem is that gamma(i) is being interpreted by the parser as a
call to function `gamma' with argument `i', rather than referencing
the variable of the same name. (On some systems, gamma() is defined
the same as lgamma(), i.e., 'the log of the absolute value of the
In future versions, trying to set a variable that conflicts with an
intrinsic function name will flag an input error.
Dr. Matt Hodges
School of Chemical Sciences
University of Birmingham
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