[CP2K:3289] dbcsr multiply question

Urban Borštnik urban.b... at gmail.com
Thu Jun 9 10:45:42 UTC 2011

Hello Alin,

I think this would be best solved using cp_dbcsr_multiply() with the
retain_sparsity=.TRUE. option.  So assuming you have the product matrix
with the diagonal elements (or, more generally, the (i,j) elements exist
in the product matrix), then only those elements get computed.


On Thu, 2011-06-09 at 10:18 +0100, Alin Marin Elena wrote:
> Hi,
> I am trying to hack a little bit cp2k... I now reached a point where I need to 
> compute a matrix matrix product... However not all the elements of the product 
> I need... I need to compute only the main diagonal elements.
> is there any function that does that already?
> or
> is there any function that computes only element i,j of the product matrix.
> at the moment I use cp_dbcsr_sm_fm_multiply
> regards,
> Alin

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