[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?
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
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