[CP2K:3959] Quick DBCSR matrix question

[Urban Borštnik]

On Thu, 2012-08-02 at 13:44 -0700, Adam wrote:
> The problem I run into while doing that is that "copy_dbcsr_to_fm"
> uses a  cp_dbcsr_obj  not a  dbcsr_obj  which I used to create my
> matrix, is there a way around this?

Since cp_dbcsr_obj is more or less a wrapper around dbcsr_obj, you can
take the routine (in src/cp_dbcsr_operations.F) and modify it...
> 
> -Adam
> 
> On Wednesday, August 1, 2012 2:46:29 AM UTC-6, jgh wrote:
>         Hi 
>         
>         have a look into " copy_dbcsr_to_fm ", fm = full matrix. 
>         
>         Most of the complexity is from the distributed memory of both 
>         types. 
>         Using the fm type (see cp_fm_type.F) is rather easy. 
>         
>         Juerg 
>         
>         -------------------------------------------------------------- 
>         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) 
>                  BO(i,j)=data 
>             ENDDO 
>         ENDDO 
>           
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