[CP2K:3085] Re: Matrix operations 2

Urban Borštnik urban.b... at gmail.com
Sat Feb 5 11:24:36 CET 2011


Hello,

On Fri, 2011-02-04 at 08:26 -0800, Andrey wrote:
> [...]
> Where can I find the interface if dbcsr_printmat routine (and other
> routines)?

They are defined in the src/dbcsr_lib/dbcsr_io.F file (or
src/lib/dbcsr_io.F, depending on your CP2K version).

If your full_ks array is really real(dp), dimension(:), then it's
probably a vector.  You could then call the routine 
        dbcsr_printmat (full_ks, size(full_ks), 1, 1, 1)
to print as a column vector.

The dbcsr_printmat interface maps to 1-D and 2-D versions of array
printing for all 4 data types.  Please, have a look there.  The 1-D
versions have the option of specifying that the 1-D array is actually a
reshaped 2-D array.

Cheers,
Urban.





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