Re: Cholesky Decomposition error


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Posted by Javier on March 16, 2009 at 16:47:08:

In Reply to: Cholesky Decomposition error posted by Nicolas Suaud on September 30, 2008 at 15:19:56:

Hi

you can see in this link, http://www.absoluteastronomy.com/topics/Cholesky_decomposition or this one http://en.wikipedia.org/wiki/Cholesky_decomposition, the cholesky negative diagonal is an error in some systems solutions, i work with X-ray diffraction and in the solve of structures by least squares sometimes gives a cholesky negative diagonal.


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if B is 1s22s22p1, what is Li?

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