[Paraview] Gaussian cube files

[Roberto Di Remigio]

Is there some sort of guide about this part of the VTK code? I mean, I am
working with an electronic structure package and it would be great if there
was a way to "interface" it with ParaView.

Il giorno 15 marzo 2012 16:48, Marcus D. Hanwell <marcus.hanwell at kitware.com
> ha scritto:

> On Thu, Mar 15, 2012 at 11:29 AM, Roberto Di Remigio
> <roberto.diremigio at gmail.com> wrote:
> > Sorry for taking the discussion out of the mailing list! I hadn't
> noticed.
> > I tried with the Resample filter and it worked.
> > For future use, I summarize what I did:
> > 1. open first cube file (containing the density);
> > 2. plot the isodensity surface;
> > 3. open second cube file (containing the electrostatic potential);
> > 4. use Resample With Dataset filter. Select Gridded Data of the second
> cube
> > file as Input and Contour of the first cube file as Source.
> > This should do it.
> > Thank you again for your answers
> >
> Just to add that we have added more chemistry to VTK, in the form of
> Blue Obelisk Data Repository for atom colors, radii, symbols, names,
> etc along with things like a vtkMolecule data structure and a simple
> bond perceiver. This should hopefully gain some exposure in future
> ParaView releases so that it is easier to view molecular structure and
> related data.
>
> Marcus
>



-- 
Roberto Di Remigio
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