dbcsr multiply question

Alin Marin Elena alinm... at gmail.com
Thu Jun 9 09:18:12 UTC 2011


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
-- 
 Without Questions there are no Answers!
 _____________________________________________________________________
  Alin Marin ELENA
  Advanced Molecular Simulation Research Laboratory
  School of Physics, University College Dublin
  ----
  Ardionsamblú Móilíneach Saotharlann Taighde
  Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath

  -----------------------------------------------------------------------------------
  http://alin.elenaworld.net
  ______________________________________________________________________
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