From: Adam T. <a-t...@st...> - 2006-05-31 03:46:42
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> Hmmm...I see where you're coming from. I forgot that they would all be > A, so there's no need for the whole list...but aren't the evalues > printed there also? If so, we need the extra EPRINT info... Oooh, good point. Should we try to make an array of the evalues if we only get a partial list? I'll run a new single point and unrestricted calc for NOSYM and extra EPRINT info and upload it when it finished. > Don't worry about it - real life comes first :-) > > By the way, I just got an answer back on the ADF SCF stuff - I'll > put it > up on the wiki - it's more complicated than the manual says! Ok. Adam |