[CP2K:3953] Quick DBCSR matrix question

hut... at pci.uzh.ch hut... at pci.uzh.ch
Wed Aug 1 08:46:29 UTC 2012


have a look into " copy_dbcsr_to_fm ", fm = full matrix.

Most of the complexity is from the distributed memory of both
Using the fm type (see cp_fm_type.F) is rather easy.


Juerg Hutter                         Phone : ++41 44 635 4491
Physical Chemistry Institute   FAX   : ++41 44 635 6838
University of Zurich               E-mail:  hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland

-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: Adam 
Sent by: cp... at googlegroups.com
Date: 07/31/2012 08:10PM
Subject: [CP2K:3953] Quick DBCSR matrix question

Is there an easy way to retrieve matrix data by row and column? So I could do something like this to store values in an array:

Real(8) :: BO(1000,1000)
DO j=1, dbcsr_nblkcols_total(matrix_a)
    DO i=1, dbcsr_nblkrows_total(matrix_a)
         dbcsr_function(matrix_a, i, j, data)
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