From: Noel O'B. <bao...@gm...> - 2007-03-23 23:12:40
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Log: """Jaguar parser: Make mocoeffs dimensions be based on the size of moenergies[0] and [1]; only for unrestricted right now. Doesn't break any test files and fixes files where only some of the virtual orbitals are printed.""" 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? Noel |