[molpro-user] variable for ci vector
Millard H. Alexander
mha at umd.edu
Tue Jul 13 21:05:05 BST 2010
is there a way of saving as a variable the ci vectors (or the largest components of the ci vector) after a casscf (multi) calculation? or
is there a way of using matrop to query the components of the ci vector?
thanks
---
millard alexander, distinguished university professor
department of chemistry and biochemistry
institute for physical science and technology
university of maryland, college park, maryland, 20742-2021, usa
tel: +1.301.405.1823 fax: +1.301.314.9121
website: www2.chem.umd.edu/groups/alexander<http://www2.chem.umd.edu/groups/alexander/index.html>
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