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Bylaska Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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| 12:04:33 PM PDT - Tue, Oct 2nd 2012 |
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Which version of nwchem are you using? I recently fixed the mulliken analysis for f-orbitals. You might be using a version that doesn' have these fixes.
The best thing to do is to try to download the development version of nwchem. If you're having trouble please contact me directly (eric.bylaska@pnnl.gov) and I'll try to help you get the latest development installed on our computer.
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