saving and working with ci vectors
Michael Deskevich
deskevic at jilau1.Colorado.EDU
Mon Apr 14 21:53:39 BST 2003
hi all, i need some help on something that is probably quite simple.
after a mcscf calculation i need to save the ci vectors so that i can use
them later. i understand i can do something like this
mcscf
[other stuff here]
save,ci=irec.ifil
this is fine, but it stored the ci information in a binary format that i
don't have handy. what i'd really like to do is save the (first few) ci
vector configurations and values to a variable in molpro so that i can
work with them in my molpro script. does anyone know if/how i can do
this?
thanks!
mike
======================================================================
mike deskevich __o
deskevic at jila.colorado.edu _`\(,_
303-492-0500 (office / JILA Tower A404) (_)/ (_)
303-883-2669 (wireless)
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