variable referencing in MolPro
matt at stchem.bham.ac.uk
Tue Mar 4 10:17:37 GMT 2003
>>>>> Seth Olsen writes:
> I'm doing a potential energy scan along a coordinate, and would
> like to create molden files and ASCII orbital files at each point.
> To this end, I would like to know what syntax to use to create
> filenames that include the variable indexing the appropriate DO
> loop, for example (though I know this doesn't work- I tried).
> do i=1,5
> This command appears to create a file called example$i.molden, and
> not example1.molden etc. Is there a way to do what I want?
This should work:
Dr. Matt Hodges
School of Chemical Sciences
University of Birmingham
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