[molpro-user] Fwd: molpro questions

Peter Knowles KnowlesPJ at Cardiff.ac.uk
Fri Jul 6 16:09:23 BST 2007

>> From: "DiLabio, Gino" <Gino.DiLabio at nrc-cnrc.gc.ca>
>> Date: 6 July 2007 13:02:48 BDT
>> To: <HillJG at cardiff.ac.uk>
>> Subject: molpro questions
>> I noticed that molpro.2006 does not have the BR functional listed  
>> in the user manual while it is listed in the molrpo.2002 manual.  
>> Is the functional implemented in 2006? If not, was there a problem  
>> with the implementation in molpro.2002?

Do you mean the functional shown at http://www.molpro.net/info/ 
current//doc/manual/node630.html or something else? As far as I see,  
it is there and working.

Prof. Peter J. Knowles
School of Chemistry, Cardiff University, Main Building, Park Place,  
Cardiff CF10 3AT, UK
Telephone: +44 29208 79182 Fax: +44 2920874030  Skype: callto:// 
Email KnowlesPJ at Cardiff.ac.uk  WWW http://www.cardiff.ac.uk/chemy/ 

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