[molpro-user] Iterations syntax
Terry Frankcombe
terry at chem.gu.se
Tue Jun 5 16:09:32 BST 2007
Am I correct in thinking that the online documentation for the
ITERATIONS directive is out of date?
Using Molpro 2006.1 patch level 85 with input like:
ITERATIONS; DO UNCOUPLE 1 TO 4; END
I get:
Obsolete input ITERATIONS. Please use curley brackets:
{ITERATIONS
DO/DONT,...}
Yet in the docs at
http://www.molpro.net/info/current//doc/manual/node241.html there's no
mention of using extra braces.
--
Dr Terry Frankcombe
Physical Chemistry, Department of Chemistry
Göteborgs Universitet
SE-412 96 Göteborg Sweden
Ph: +46 76 224 0887 Skype: terry.frankcombe
<terry at chem.gu.se>
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