[gmx-users] Re: Diagonalizing matrix (g_covar)

[SeokYun123]

I'm trying to obtain eigenvalues as well as eigenvectors from the matrix by
diagonalizing it.

I don't know, is there a way to simplify the problem? 

How about scalapack or mkl?

I heard that those two pose same problems as well.

Thank you.



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