Added two frequency scaling factors to Arkane#1653
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Calculated using Truhlar's method
cgrambow
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Jul 16, 2019
cgrambow
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Looks good. Travis failing with some Cairo issue. I'll restart it and see if it recovers.
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Travis is still failing. Not sure why. |
Contributor
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Sorry, I was updating dependencies yesterday. The most recent cairocffi build apparently doesn't work on linux. I removed it so it should work now. |
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Added frequency scaling factors for the
wb97xd/def2tzvpandapfd/def2tzvpplevels of theory, calculated using Truhlar's method.Should be straight forward to review.