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
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Ardionsamblú Móilíneach Saotharlann Taighde
Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath
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http://alin.elenaworld.net
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