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
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