[CP2K:3289] dbcsr multiply question

[Urban Borštnik]

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.

Cheers,
Urban

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