[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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