Can a JobIph file be formatted/unformatted?

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Posted by Andy Kerridge on February 05, 2008 at 16:07:17:

Hi,

I have a problem in which I'm trying to perform a calculation using RASSI on two non-orthogonal but degenerate CASSCF states, read in from separate JobIph files. RASSI forms linear combinations and splits these two states, but due to a sign change in one of them, the ordering of states is incorrect. Is there any formatting/unformatting tool that can be used with JobIph files so that I can correct for this?

Thanks,

Andy Kerridge

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