variable referencing in MolPro
tania at tiger.chem.uw.edu.pl
Tue Mar 4 12:55:22 GMT 2003
On Tue, 4 Mar 2003, Seth Olsen wrote:
> 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?
The following should work:
Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/kwanty/staff/tania/tania_en.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND
`The man who makes no mistakes does not usually make anything.'
Edward John Phelps (1822-1900)
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