[molpro-user] Writing variables to file

Seth Olsen seth.olsen at uq.edu.au
Fri Jul 27 12:24:49 BST 2012

Hi Molpro-Users,

I am trying out something, and it would work best if I could pass the WEIGHT variable from one run of Molpro to the next.  I would like to automate this.  Is there a general way to write variables to an external file in Molpro?  I note that the data I need is in the punch file; and there is reference to something called READPUN on the site.  Is READPUN a routine that can read punch files created by a previous run in a series of runs?  It is best if the runs are different jobs with distinct input decks (because I am using a facility where short jobs are given extra priority, so breaking it up is advantageous).

Many Thanks,


Seth Olsen
ARC Australian Research Fellow
6-431 Physics Annexe
School of Mathematics and Physics
The University of Queensland
Brisbane QLD 4072 Australia
seth.olsen at uq.edu.au
+61 7 3365 2816
Unless stated otherwise, this e-mail represents only the views of the Sender and not the views of The University of Queensland

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