[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[FreeON-devel] fixes for UHF

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


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.


reply via email to

[Prev in Thread] Current Thread [Next in Thread]