From: Adam T. <a-t...@st...> - 2007-03-24 00:31:36
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> Does this mean that you're throwing away some of the mocoeffs that > you've parsed? Or do you simply mean that the parser was previously > looking for mocoeffs that didn't exist? There's an option (ipvirt) in Jaguar where you can tell it to print all of the virtual orbitals or a specific number. So the parser was previously looking for mocoeffs for high-energy virtual orbitals that weren't in the logfile. Adam |