[Octopus-devel] [Octopus-notify] svn commit: r8943 - in trunk/src: ions by mjv500

[matthieu verstraete]

Thanks David! You're a darling. I have opted to explicitly restrict
the dimension to <=3 for symmetries. If whoever is responsible for the
symmetries is unhappy with this we can change it (e.g. not running the
symmetry analysis for dim>3)

have you settled in to Boston?

cheers

Matthieu

On Wed, Mar 28, 2012 at 20:48, David Strubbe <dstrubbe at berkeley.edu> wrote:
> Hi Matthieu,
>
> Looks like most of this is debugging lines you didn't mean to commit.
>
> As for the symmetries, the problem is not that the line you changed assumes
> 3D, it's that the routines we call to analyze symmetries assume 3D. The
> generalization to nD may not be straightforward. Anyway, you can see that
> the 4D test is failing after your commit.
>
> Cheers,
> David
>
>
> On Wed, Mar 28, 2012 at 9:44 AM, <octopus-svn at tddft.org> wrote:
>>
>>      Author: mjv500
>>        Date: Wed Mar 28 17:44:33 2012
>> New Revision: 8943
>>   Changeset: http://www.tddft.org/trac/octopus/changeset/8943
>>
>> Modified:
>>   trunk/src/grid/mesh_init.F90
>>   trunk/src/ions/symmetries.F90
>>   trunk/src/ions/xyz_file.F90
>>
>> Log:
>> sym checking was not working for ndim not = 3
>> _______________________________________________
>> Octopus-notify mailing list
>> Octopus-notify at tddft.org
>> http://www.tddft.org/mailman/listinfo/octopus-notify
>
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Prof. Matthieu Verstraete

Universite de Liège
Institut de Physique, Bat. B5, 3/7
Allée du 6 aout, 17
B- 4000 Sart Tilman, Liège
Belgium

Associate member European Theoretical Spectroscopy Facility (ETSF
http://www.etsf.eu)

Phone : +32 4 366 90 17
Fax   : +32 4 366 36 29

Mail : matthieu.verstraete at ulg.ac.be
          matthieu.jean.verstraete at gmail.com