[molpro-user] naming custom basis sets
Kelly Higgins
higgins at otto.harvard.edu
Tue Jul 4 04:27:35 BST 2006
Hi Everyone,
Is there a way to name a basis block within an input file so that it can
be referred to by the name? For example, I have a multi-line
basis={...} input that I would like to use in multiple places in the
input after using the sto-3g basis but I don't want to have to put in
the whole definition each time I switch back to it. I've tried saving
the whole primitive basis definition in a string variable but I can't
get it to work. It's really just a matter of having a cleaner input file.
Thanks,
Kelly Higgins
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