[Octopus-devel] [Octopus-notify] svn commit: r6212 - in trunk/src: hamiltonian by xavier

David Strubbe dstrubbe at berkeley.edu
Thu Dec 10 19:32:21 WET 2009


Xavier,

I thought part of the point of the fine grid was for more accurate forces.
But it looks like you just removed use of the fine grid from the calculation
of forces. What are we using the fine grid for then?

David

On Thu, Dec 10, 2009 at 8:30 AM, <octopus-notify at tddft.org> wrote:

>      Author: xavier
>        Date: Thu Dec 10 16:30:05 2009
> New Revision: 6212
>   Changeset: http://www.tddft.org/trac/octopus/changeset/6212
>
> Modified:
>   trunk/src/hamiltonian/epot.F90
>   trunk/src/hamiltonian/species_pot.F90
>   trunk/src/system/forces_inc.F90
>
> Log:
> * Removed the projectors on the fine grid, they were not really used and
> I don't think they are necessary.
>
> *  Spec_get_density now receives a mesh_t argument and not a grid_t one.
>
>
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