optimization in DFT-D3

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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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12:13:37 PM PDT - Tue, May 7th 2013
cgmin and dispersion
Please remove cgmin. This convergence algorithm in the released version does not properly handle dispersion. This will be fixed in our next release, which will be very shortly.

Bert


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