variable referencing in MolPro

[Matt Hodges]

>>>>> 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
 > put,molden,example$i.molden
 > enddo

 > 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:

do i=1,5
 file='example$i.molden'
 put,molden,$file
enddo

-- 
Dr. Matt Hodges
School of Chemical Sciences
University of Birmingham