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[FreeON-devel] fixes for UHF


From: Nicolas Bock
Subject: [FreeON-devel] fixes for UHF
Date: Fri, 18 Dec 2009 12:19:31 -0700

Hi,

Changes in Dec-18-2009:

* Added keywords to do unrestricted spin calculations. Use SpinModel with values: R, U, G, for restricted, unrestricted, and generalized. Unrestricted seems to work for HF and some DFT functionals.
* Added new unrestricted functionals.
* Fixed some issues with parallel clones and MPI.

nick


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